data_5c02_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 5c02 _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 ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.451 . . . . . . . . 18.390000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.0 p -139.58 161.01 38.54 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 117.773 -1.571 . . . . 22.850000000000001 109.468 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -127.83 162.17 27.31 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.669 0.747 . . . . 18.52 111.116 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.39 137.22 40.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 119.674 -0.81 . . . . 20.489999999999998 110.256 168.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HB3' ' H22' ' A' ' 106' ' ' OLC . 50.7 Cg_exo -56.8 -34.65 97.02 Favored 'Trans proline' 0 C--O 1.24 0.595 0 O-C-N 122.35 0.658 . . . . 24.550000000000001 112.311 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.34 -35.65 81.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 120.783 -0.367 . . . . 78.890000000000001 110.792 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t -68.52 -41.55 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.68 0.392 . . . . 19.59 111.219 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.58 -46.89 92.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 121.377 -0.827 . . . . 23.829999999999998 109.192 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.7 95.86 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.85 -0.426 . . . . 22.5 109.85 -177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.04 88.65 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 120.973 0.416 . . . . 22.809999999999999 111.435 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.52 -39.86 77.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.082 0.771 . . . . 35.229999999999997 113.082 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.71 -46.92 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 123.207 0.317 . . . . 25.579999999999998 110.445 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.81 -42.02 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.998 0.428 . . . . 30.010000000000002 110.885 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.46 -40.43 98.66 Favored Glycine 0 C--O 1.24 0.489 0 CA-C-N 116.404 -0.362 . . . . 20.940000000000001 112.832 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.37 -41.82 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.728 0.299 . . . . 37.689999999999998 110.386 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' ' H15' ' A' ' 105' ' ' OLC . 15.1 tp -62.78 -37.87 88.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.556 -0.905 . . . . 47.619999999999997 108.556 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -60.88 -44.56 96.92 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.526 -0.916 . . . . 41.840000000000003 108.526 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.97 -44.71 95.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.551 . . . . 36.18 111.072 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.69 -48.43 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.484 -0.486 . . . . 32.399999999999999 110.388 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.33 -36.73 85.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 36.219999999999999 110.566 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -61.81 -48.12 82.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.763 0.316 . . . . 48.009999999999998 110.673 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.89 -44.09 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 O-C-N 122.077 -0.39 . . . . 35.619999999999997 110.331 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.93 -38.4 90.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.103 -0.702 . . . . 32.689999999999998 109.103 -177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.92 -43.72 94.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.724 0.773 . . . . 43.920000000000002 110.187 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -74.43 -32.48 62.66 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.521 -0.737 . . . . 80.700000000000003 110.893 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.72 -30.05 66.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.845 -0.161 . . . . 38.890000000000001 111.167 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 123.633 0.583 . . . . 20.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' CL' . . . . . 0.726 'CL ' ' O ' ' A' ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' OLC . . . . . 0.431 ' H15' ' CD1' ' A' ' 36' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' OLC . . . . . 0.598 ' H22' ' HB3' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . 0.726 ' O ' 'CL ' ' A' ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.451 . . . . . . . . 16.960000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.0 p -139.58 161.01 38.54 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 117.773 -1.571 . . . . 19.039999999999999 109.468 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -127.83 162.17 27.31 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.669 0.747 . . . . 15.43 111.116 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.39 137.22 40.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 119.674 -0.81 . . . . 20.489999999999998 110.256 168.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . 0.554 ' HB3' ' H22' ' A' ' 106' ' ' OLC . 50.7 Cg_exo -56.8 -34.65 97.02 Favored 'Trans proline' 0 C--O 1.24 0.595 0 O-C-N 122.35 0.658 . . . . 20.460000000000001 112.311 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.34 -35.65 81.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 120.783 -0.367 . . . . 65.739999999999995 110.792 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t -68.52 -41.55 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.68 0.392 . . . . 16.32 111.219 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.58 -46.89 92.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 121.377 -0.827 . . . . 19.859999999999999 109.192 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.7 95.86 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.85 -0.426 . . . . 18.75 109.85 -177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.04 88.65 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 120.973 0.416 . . . . 19.0 111.435 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.52 -39.86 77.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.082 0.771 . . . . 35.229999999999997 113.082 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.71 -46.92 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 123.207 0.317 . . . . 21.309999999999999 110.445 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.81 -42.02 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.998 0.428 . . . . 25.010000000000002 110.885 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.46 -40.43 98.66 Favored Glycine 0 C--O 1.24 0.489 0 CA-C-N 116.404 -0.362 . . . . 20.219999999999999 112.832 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.37 -41.82 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.728 0.299 . . . . 31.41 110.386 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' H15A ' A' ' 105' ' ' OLC . 15.1 tp -62.78 -37.87 88.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.556 -0.905 . . . . 39.68 108.556 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -60.88 -44.56 96.92 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.526 -0.916 . . . . 36.880000000000003 108.526 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.97 -44.71 95.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.551 . . . . 30.149999999999999 111.072 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.69 -48.43 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.484 -0.486 . . . . 27.0 110.388 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.33 -36.73 85.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 30.190000000000001 110.566 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -61.81 -48.12 82.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.763 0.316 . . . . 44.280000000000001 110.673 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.89 -44.09 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 O-C-N 122.077 -0.39 . . . . 29.68 110.331 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.93 -38.4 90.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.103 -0.702 . . . . 27.239999999999998 109.103 -177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.92 -43.72 94.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.724 0.773 . . . . 43.920000000000002 110.187 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -74.43 -32.48 62.66 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.521 -0.737 . . . . 67.810000000000002 110.893 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.72 -30.05 66.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.845 -0.161 . . . . 32.409999999999997 111.167 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 123.633 0.583 . . . . 17.370000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' CL' . . . . . 0.726 'CL ' ' O ' ' A' ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' OLC . . . . . 0.431 H15A ' CD1' ' A' ' 36' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' OLC . . . . . 0.554 ' H22' ' HB3' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . 0.726 ' O ' 'CL ' ' A' ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.451 . . . . . . . . 16.960000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.0 p -139.58 161.01 38.54 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 117.773 -1.571 . . . . 19.039999999999999 109.468 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -127.83 162.17 27.31 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.669 0.747 . . . . 15.43 111.116 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.39 137.22 40.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 119.674 -0.81 . . . . 20.489999999999998 110.256 168.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.554 ' HB3' ' H22' ' A' ' 106' ' ' OLC . 50.7 Cg_exo -56.8 -34.65 97.02 Favored 'Trans proline' 0 C--O 1.24 0.595 0 O-C-N 122.35 0.658 . . . . 20.460000000000001 112.311 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.34 -35.65 81.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 120.783 -0.367 . . . . 65.739999999999995 110.792 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t -68.52 -41.55 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.68 0.392 . . . . 16.32 111.219 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.58 -46.89 92.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 121.377 -0.827 . . . . 19.859999999999999 109.192 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.7 95.86 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.85 -0.426 . . . . 18.75 109.85 -177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.04 88.65 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 120.973 0.416 . . . . 19.0 111.435 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.52 -39.86 77.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.082 0.771 . . . . 35.229999999999997 113.082 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.71 -46.92 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 123.207 0.317 . . . . 21.309999999999999 110.445 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.81 -42.02 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.998 0.428 . . . . 25.010000000000002 110.885 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.46 -40.43 98.66 Favored Glycine 0 C--O 1.24 0.489 0 CA-C-N 116.404 -0.362 . . . . 20.219999999999999 112.832 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.37 -41.82 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.728 0.299 . . . . 31.41 110.386 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' H15A ' A' ' 105' ' ' OLC . 15.1 tp -62.78 -37.87 88.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.556 -0.905 . . . . 39.68 108.556 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -60.88 -44.56 96.92 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.526 -0.916 . . . . 36.880000000000003 108.526 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.97 -44.71 95.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.551 . . . . 30.149999999999999 111.072 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.69 -48.43 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.484 -0.486 . . . . 27.0 110.388 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.33 -36.73 85.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 30.190000000000001 110.566 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -61.81 -48.12 82.05 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.763 0.316 . . . . 44.280000000000001 110.673 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.89 -44.09 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 O-C-N 122.077 -0.39 . . . . 29.68 110.331 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.93 -38.4 90.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.103 -0.702 . . . . 27.239999999999998 109.103 -177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -59.92 -43.72 94.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.724 0.773 . . . . 43.920000000000002 110.187 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -74.43 -32.48 62.66 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.521 -0.737 . . . . 67.810000000000002 110.893 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.72 -30.05 66.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.845 -0.161 . . . . 32.409999999999997 111.167 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 123.633 0.583 . . . . 17.370000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' CL' . . . . . 0.726 'CL ' ' O ' ' A' ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' OLC . . . . . 0.431 H15A ' CD1' ' A' ' 36' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' OLC . . . . . 0.554 ' H22' ' HB3' ' A' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . 0.726 ' O ' 'CL ' ' A' ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_