data_6mpl_residue ############################ # Computer software used # ############################ 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 6mpl _Structure_validation_residue.Date_analyzed 2019-01-25 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 ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.134 . . . . . . . . 30.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -63.58 -32.87 69.32 Favored 'Trans proline' 0 C--O 1.241 0.657 2 O-C-N 129.422 4.38 . . . . 33.51 114.203 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -67.7 -36.37 80.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 119.221 0.919 . . . . 45.78 111.52 175.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.48 -47.01 92.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.251 0.548 . . . . 35.07 110.047 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.5 -46.02 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 121.74 -0.6 . . . . 33.48 110.369 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.02 90.85 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 119.499 -0.88 . . . . 30.79 111.04 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.22 91.17 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.132 0.419 . . . . 32.23 112.132 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -67.22 -40.08 86.34 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.387 -0.525 . . . . 28.45 111.261 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.3 -43.81 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.004 0.43 . . . . 31.2 110.069 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.88 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 122.076 -0.39 . . . . 37.22 110.581 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.8 95.19 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 119.929 -0.708 . . . . 30.79 111.769 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -72.36 -39.65 63.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 120.8 -0.36 . . . . 35.92 110.213 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -60.69 -45.65 93.35 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 121.551 -0.718 . . . . 31.0 110.822 175.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -58.35 -47.12 84.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.026 -0.67 . . . . 38.96 110.215 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.2 tp -54.98 -49.77 70.6 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.744 -0.598 . . . . 33.06 111.202 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.79 89.63 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.783 -0.573 . . . . 29.2 111.356 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.98 -41.12 87.37 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.652 -0.419 . . . . 44.9 112.03 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -58.31 -46.11 86.76 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.121 0.486 . . . . 39.57 111.138 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.63 -47.92 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 121.819 -0.551 . . . . 31.91 110.793 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 tp -52.7 -46.47 67.34 Favored 'General case' 0 C--O 1.181 -2.535 0 N-CA-C 112.899 0.703 . . . . 47.72 112.899 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.22 -26.89 66.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.498 -0.319 . . . . 55.79 111.855 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -105.19 -1.0 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.303 0.853 . . . . 40.24 113.303 -173.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.24 -30.65 65.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 67.73 108.985 172.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.392 -0.822 . . . . 47.26 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' MPD . . . . . 0.524 ' O4 ' ' O2 ' ' A' ' 104' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.134 . . . . . . . . 30.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -63.58 -32.87 69.32 Favored 'Trans proline' 0 C--O 1.241 0.657 2 O-C-N 129.422 4.38 . . . . 27.97 114.203 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -67.7 -36.37 80.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 119.221 0.919 . . . . 38.19 111.52 175.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.48 -47.01 92.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.251 0.548 . . . . 29.26 110.047 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.5 -46.02 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 121.74 -0.6 . . . . 27.94 110.369 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.02 90.85 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 119.499 -0.88 . . . . 25.69 111.04 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.22 91.17 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.132 0.419 . . . . 26.89 112.132 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -67.22 -40.08 86.34 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.387 -0.525 . . . . 28.47 111.261 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.3 -43.81 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.004 0.43 . . . . 26.04 110.069 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.88 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 122.076 -0.39 . . . . 31.05 110.581 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.8 95.19 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 119.929 -0.708 . . . . 25.7 111.769 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -72.36 -39.65 63.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 120.8 -0.36 . . . . 29.97 110.213 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -60.69 -45.65 93.35 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 121.551 -0.718 . . . . 44.79 110.822 175.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . 0.435 ' HD2' H1'1 ' A' ' 101' ' ' BOG . 40.4 t-80 -58.35 -47.12 84.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.026 -0.67 . . . . 32.5 110.215 177.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.2 tp -54.98 -49.77 70.6 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.744 -0.598 . . . . 27.59 111.202 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.79 89.63 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.783 -0.573 . . . . 24.37 111.356 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.98 -41.12 87.37 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.652 -0.419 . . . . 37.45 112.03 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -58.31 -46.11 86.76 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.121 0.486 . . . . 33.02 111.138 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.63 -47.92 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 121.819 -0.551 . . . . 26.89 110.793 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 tp -52.7 -46.47 67.34 Favored 'General case' 0 C--O 1.181 -2.535 0 N-CA-C 112.899 0.703 . . . . 39.8 112.899 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.22 -26.89 66.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.498 -0.319 . . . . 55.79 111.855 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -105.19 -1.0 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.303 0.853 . . . . 36.63 113.303 -173.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.24 -30.65 65.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 67.73 108.985 172.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.392 -0.822 . . . . 39.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' BOG . . . . . 0.435 H1'1 ' HD2' ' A' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' MPD . . . . . 0.446 ' O4 ' ' O2 ' ' A' ' 104' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.134 . . . . . . . . 30.960000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -63.58 -32.87 69.32 Favored 'Trans proline' 0 C--O 1.241 0.657 2 O-C-N 129.422 4.38 . . . . 27.969999999999999 114.203 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -67.7 -36.37 80.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 119.221 0.919 . . . . 38.189999999999998 111.52 175.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.48 -47.01 92.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.251 0.548 . . . . 29.260000000000002 110.047 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.5 -46.02 96.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 121.74 -0.6 . . . . 27.940000000000001 110.369 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.02 90.85 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 119.499 -0.88 . . . . 25.690000000000001 111.04 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.22 91.17 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.132 0.419 . . . . 26.890000000000001 112.132 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -67.22 -40.08 86.34 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.387 -0.525 . . . . 28.469999999999999 111.261 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.3 -43.81 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.004 0.43 . . . . 26.039999999999999 110.069 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.88 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 O-C-N 122.076 -0.39 . . . . 31.050000000000001 110.581 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.8 95.19 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 119.929 -0.708 . . . . 25.699999999999999 111.769 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -72.36 -39.65 63.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 120.8 -0.36 . . . . 29.969999999999999 110.213 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -60.69 -45.65 93.35 Favored 'General case' 0 C--O 1.242 0.669 0 O-C-N 121.551 -0.718 . . . . 44.789999999999999 110.822 175.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.435 ' HD2' H1'1 ' A' ' 101' ' ' BOG . 40.4 t-80 -58.35 -47.12 84.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.026 -0.67 . . . . 32.5 110.215 177.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.2 tp -54.98 -49.77 70.6 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.744 -0.598 . . . . 27.59 111.202 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.79 89.63 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.783 -0.573 . . . . 24.370000000000001 111.356 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.98 -41.12 87.37 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.652 -0.419 . . . . 37.450000000000003 112.03 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -58.31 -46.11 86.76 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.121 0.486 . . . . 33.020000000000003 111.138 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.63 -47.92 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 121.819 -0.551 . . . . 26.890000000000001 110.793 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.4 tp -52.7 -46.47 67.34 Favored 'General case' 0 C--O 1.181 -2.535 0 N-CA-C 112.899 0.703 . . . . 39.799999999999997 112.899 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -60.22 -26.89 66.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.498 -0.319 . . . . 55.789999999999999 111.855 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -105.19 -1.0 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.303 0.853 . . . . 36.630000000000003 113.303 -173.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.24 -30.65 65.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.985 -0.746 . . . . 67.730000000000004 108.985 172.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.392 -0.822 . . . . 39.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' BOG . . . . . 0.435 H1'1 ' HD2' ' A' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' MPD . . . . . 0.446 ' O4 ' ' O2 ' ' A' ' 104' ' ' MPD . . . . . . . . . . . . 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