data_2b22_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 2b22 _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 ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.587 0 N-CA-C 116.972 2.212 . . . . 78.269999999999996 116.972 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . 0.671 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -69.67 -29.53 67.0 Favored 'General case' 0 C--O 1.185 -2.334 0 N-CA-C 103.327 -2.842 . . . . 89.469999999999999 103.327 -161.743 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.65 -38.16 67.76 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.278 -0.874 . . . . 91.510000000000005 111.016 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.14 -37.86 88.88 Favored 'General case' 0 N--CA 1.397 -3.109 0 N-CA-C 113.992 1.108 . . . . 71.180000000000007 113.992 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' OE2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -78.91 -29.45 44.26 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-O 124.905 2.288 . . . . 73.590000000000003 107.492 -174.018 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . 0.671 ' OD2' ' O ' ' A' ' 3' ' ' LYS . 10.3 m-20 -65.52 -39.95 92.41 Favored 'General case' 0 N--CA 1.407 -2.6 0 O-C-N 117.141 -3.474 . . . . 79.290000000000006 115.264 167.689 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.416 2.0 m -55.59 -44.07 75.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 CA-C-N 120.335 1.425 . . . . 53.950000000000003 112.736 167.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.19 -45.01 93.15 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.601 0 CA-C-N 118.371 0.532 . . . . 47.68 109.921 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' OE1' ' OE2' ' A' ' 6' ' ' GLU . 57.7 mt-10 -53.67 -55.34 26.85 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 113.355 0.872 . . . . 73.480000000000004 113.355 174.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.09 -38.41 73.32 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 114.526 1.306 . . . . 78.379999999999995 114.526 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.97 -41.57 98.16 Favored 'General case' 0 CA--C 1.599 2.829 0 CA-C-O 125.046 2.355 . . . . 45.100000000000001 115.609 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.19 -51.86 66.51 Favored 'General case' 0 CA--C 1.437 -3.393 0 CA-C-O 117.096 -1.43 . . . . 53.43 107.338 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -66.31 -40.98 90.33 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 120.526 1.512 . . . . 55.18 114.04 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.81 -41.38 85.44 Favored 'Isoleucine or valine' 0 C--O 1.26 1.625 0 CA-C-O 123.816 1.77 . . . . 50.210000000000001 109.433 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.83 -38.5 89.06 Favored 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.168 2.414 . . . . 56.670000000000002 112.008 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.13 -44.37 80.03 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-O 123.317 1.532 . . . . 56.880000000000003 109.421 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.64 -43.35 99.03 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 114.168 -1.378 . . . . 58.850000000000001 114.041 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.0 -39.51 85.99 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 118.293 -1.363 . . . . 39.149999999999999 112.764 169.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 11.1 pt-20 -68.42 -28.06 66.75 Favored 'General case' 0 N--CA 1.418 -2.061 0 C-N-CA 113.547 -3.261 . . . . 77.629999999999995 113.938 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.251 59.6 m-20 -76.02 -39.02 56.57 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 118.632 -1.227 . . . . 56.270000000000003 112.869 177.178 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 t -64.76 -43.08 96.51 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-O 117.584 -1.198 . . . . 47.0 111.485 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.65 -45.18 90.88 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 N-CA-C 116.371 1.989 . . . . 48.259999999999998 116.371 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.23 75.71 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 121.609 0.719 . . . . 49.090000000000003 112.718 169.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -63.49 -44.58 93.94 Favored 'General case' 0 CA--C 1.58 2.104 0 O-C-N 118.714 -2.491 . . . . 92.140000000000001 112.265 175.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.66 -41.79 91.37 Favored 'General case' 0 C--O 1.252 1.186 0 C-N-CA 125.114 1.366 . . . . 51.369999999999997 111.029 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -17.4 62.27 Favored 'General case' 0 N--CA 1.401 -2.89 0 C-N-CA 118.986 -1.086 . . . . 85.829999999999998 113.279 -173.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.51 -27.24 12.89 Favored 'General case' 0 N--CA 1.398 -3.033 0 O-C-N 120.324 -1.485 . . . . 82.079999999999998 107.219 177.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -56.89 -50.87 71.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 116.493 -2.083 . . . . 69.420000000000002 112.303 164.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.276 2.45 0 CA-C-O 122.969 1.366 . . . . 72.980000000000004 111.513 -170.948 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.587 0 N-CA-C 116.972 2.212 . . . . 78.27 116.972 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.671 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -69.67 -29.53 67.0 Favored 'General case' 0 C--O 1.185 -2.334 0 N-CA-C 103.327 -2.842 . . . . 89.47 103.327 -161.743 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.65 -38.16 67.76 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.278 -0.874 . . . . 91.51 111.016 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.14 -37.86 88.88 Favored 'General case' 0 N--CA 1.397 -3.109 0 N-CA-C 113.992 1.108 . . . . 71.18 113.992 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -78.91 -29.45 44.26 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-O 124.905 2.288 . . . . 73.59 107.492 -174.018 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . 0.671 ' OD2' ' O ' ' A' ' 3' ' ' LYS . 10.3 m-20 -65.52 -39.95 92.41 Favored 'General case' 0 N--CA 1.407 -2.6 0 O-C-N 117.141 -3.474 . . . . 79.29 115.264 167.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.416 2.0 m -55.59 -44.07 75.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 CA-C-N 120.335 1.425 . . . . 53.95 112.736 167.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.19 -45.01 93.15 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.601 0 CA-C-N 118.371 0.532 . . . . 47.68 109.921 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' OE1' ' OE2' ' A' ' 6' ' ' GLU . 57.7 mt-10 -53.67 -55.34 26.85 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 113.355 0.872 . . . . 73.48 113.355 174.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.09 -38.41 73.32 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 114.526 1.306 . . . . 78.38 114.526 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.97 -41.57 98.16 Favored 'General case' 0 CA--C 1.599 2.829 0 CA-C-O 125.046 2.355 . . . . 45.1 115.609 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.19 -51.86 66.51 Favored 'General case' 0 CA--C 1.437 -3.393 0 CA-C-O 117.096 -1.43 . . . . 53.43 107.338 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -66.31 -40.98 90.33 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 120.526 1.512 . . . . 55.18 114.04 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.81 -41.38 85.44 Favored 'Isoleucine or valine' 0 C--O 1.26 1.625 0 CA-C-O 123.816 1.77 . . . . 50.21 109.433 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.83 -38.5 89.06 Favored 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.168 2.414 . . . . 56.67 112.008 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.13 -44.37 80.03 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-O 123.317 1.532 . . . . 56.88 109.421 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.64 -43.35 99.03 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 114.168 -1.378 . . . . 58.85 114.041 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.0 -39.51 85.99 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 118.293 -1.363 . . . . 39.15 112.764 169.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 11.1 pt-20 -68.42 -28.06 66.75 Favored 'General case' 0 N--CA 1.418 -2.061 0 C-N-CA 113.547 -3.261 . . . . 77.63 113.938 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.251 59.6 m-20 -76.02 -39.02 56.57 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 118.632 -1.227 . . . . 56.27 112.869 177.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 t -64.76 -43.08 96.51 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-O 117.584 -1.198 . . . . 47.0 111.485 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.65 -45.18 90.88 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 N-CA-C 116.371 1.989 . . . . 48.26 116.371 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . -55.56 -43.23 75.71 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 121.609 0.719 . . . . 49.09 112.718 169.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -63.49 -44.58 93.94 Favored 'General case' 0 CA--C 1.58 2.104 0 O-C-N 118.714 -2.491 . . . . 92.14 112.265 175.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.66 -41.79 91.37 Favored 'General case' 0 C--O 1.252 1.186 0 C-N-CA 125.114 1.366 . . . . 51.37 111.029 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -17.4 62.27 Favored 'General case' 0 N--CA 1.401 -2.89 0 C-N-CA 118.986 -1.086 . . . . 85.83 113.279 -173.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -102.51 -27.24 12.89 Favored 'General case' 0 N--CA 1.398 -3.033 0 O-C-N 120.324 -1.485 . . . . 82.08 107.219 177.539 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 29' ' ' LEU . 25.2 mt -56.89 -50.87 71.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 116.493 -2.083 . . . . 69.42 112.303 164.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.276 2.45 0 CA-C-O 122.969 1.366 . . . . 72.98 111.513 -170.948 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.587 0 N-CA-C 116.972 2.212 . . . . 78.27 116.972 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.671 ' O ' ' OD2' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -69.67 -29.53 67.0 Favored 'General case' 0 C--O 1.185 -2.334 0 N-CA-C 103.327 -2.842 . . . . 89.47 103.327 -161.743 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.65 -38.16 67.76 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.278 -0.874 . . . . 91.51 111.016 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.14 -37.86 88.88 Favored 'General case' 0 N--CA 1.397 -3.109 0 N-CA-C 113.992 1.108 . . . . 71.18 113.992 177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -78.91 -29.45 44.26 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-O 124.905 2.288 . . . . 73.59 107.492 -174.018 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.671 ' OD2' ' O ' ' A' ' 3' ' ' LYS . 10.3 m-20 -65.52 -39.95 92.41 Favored 'General case' 0 N--CA 1.407 -2.6 0 O-C-N 117.141 -3.474 . . . . 79.29 115.264 167.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.416 2.0 m -55.59 -44.07 75.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.028 0 CA-C-N 120.335 1.425 . . . . 53.95 112.736 167.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.19 -45.01 93.15 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.601 0 CA-C-N 118.371 0.532 . . . . 47.68 109.921 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' OE1' ' OE2' ' A' ' 6' ' ' GLU . 57.7 mt-10 -53.67 -55.34 26.85 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 113.355 0.872 . . . . 73.48 113.355 174.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.09 -38.41 73.32 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 114.526 1.306 . . . . 78.38 114.526 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.97 -41.57 98.16 Favored 'General case' 0 CA--C 1.599 2.829 0 CA-C-O 125.046 2.355 . . . . 45.1 115.609 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 mt -56.19 -51.86 66.51 Favored 'General case' 0 CA--C 1.437 -3.393 0 CA-C-O 117.096 -1.43 . . . . 53.43 107.338 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -66.31 -40.98 90.33 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 120.526 1.512 . . . . 55.18 114.04 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.81 -41.38 85.44 Favored 'Isoleucine or valine' 0 C--O 1.26 1.625 0 CA-C-O 123.816 1.77 . . . . 50.21 109.433 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.83 -38.5 89.06 Favored 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.168 2.414 . . . . 56.67 112.008 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.13 -44.37 80.03 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-O 123.317 1.532 . . . . 56.88 109.421 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.64 -43.35 99.03 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-N 114.168 -1.378 . . . . 58.85 114.041 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.0 -39.51 85.99 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 118.293 -1.363 . . . . 39.15 112.764 169.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 11.1 pt-20 -68.42 -28.06 66.75 Favored 'General case' 0 N--CA 1.418 -2.061 0 C-N-CA 113.547 -3.261 . . . . 77.63 113.938 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.251 59.6 m-20 -76.02 -39.02 56.57 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 118.632 -1.227 . . . . 56.27 112.869 177.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 t -64.76 -43.08 96.51 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-O 117.584 -1.198 . . . . 47.0 111.485 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.65 -45.18 90.88 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 N-CA-C 116.371 1.989 . . . . 48.26 116.371 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . -55.56 -43.23 75.71 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 121.609 0.719 . . . . 49.09 112.718 169.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -63.49 -44.58 93.94 Favored 'General case' 0 CA--C 1.58 2.104 0 O-C-N 118.714 -2.491 . . . . 92.14 112.265 175.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.7 tp -59.66 -41.79 91.37 Favored 'General case' 0 C--O 1.252 1.186 0 C-N-CA 125.114 1.366 . . . . 51.37 111.029 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -17.4 62.27 Favored 'General case' 0 N--CA 1.401 -2.89 0 C-N-CA 118.986 -1.086 . . . . 85.83 113.279 -173.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -102.51 -27.24 12.89 Favored 'General case' 0 N--CA 1.398 -3.033 0 O-C-N 120.324 -1.485 . . . . 82.08 107.219 177.539 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 29' ' ' LEU . 25.2 mt -56.89 -50.87 71.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 116.493 -2.083 . . . . 69.42 112.303 164.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.276 2.45 0 CA-C-O 122.969 1.366 . . . . 72.98 111.513 -170.948 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_