data_3qmh_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 3qmh _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 ' 166' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' HOH . . . . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 111.832 0.308 . . . . 56.38 111.832 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -101.14 22.04 12.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.389 0.515 . . . . 61.41 112.389 163.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 15.9 mtp -141.57 121.07 13.26 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.956 0.354 . . . . 61.33 111.956 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 13.0 p -77.52 -31.12 53.21 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.351 -0.386 . . . . 57.3 110.658 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 84.29 10.97 79.18 Favored Glycine 0 N--CA 1.461 0.339 0 CA-C-N 116.42 -0.355 . . . . 59.11 112.79 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . . . -135.59 -20.69 1.56 Allowed 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.116 0.413 . . . . 62.61 112.116 -163.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 26.4 p -84.18 175.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.252 -0.579 . . . . 54.56 110.652 -176.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . . . -57.27 -44.02 83.58 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.494 -0.558 . . . . 52.46 109.494 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.15 94.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 123.792 0.682 . . . . 46.98 110.662 -174.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' CYS . . . . . . . . . . . . . 23.1 m -65.83 -32.12 73.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.458 0.91 . . . . 51.19 113.458 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -84.09 -16.12 44.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.899 0.857 . . . . 86.56 110.682 -172.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -74.3 135.34 42.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.546 -1.206 . . . . 61.36 110.338 -173.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 79.9 p -109.75 -5.34 15.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 115.022 1.49 . . . . 59.03 115.022 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -120.54 128.09 52.77 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 57.16 112.539 -170.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -73.21 142.19 47.32 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.425 -0.583 . . . . 48.5 109.425 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.7 -28.31 64.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.899 0.381 . . . . 48.79 111.442 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.64 87.09 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.948 -0.644 . . . . 48.91 112.193 176.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -129.46 -22.47 3.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.996 1.48 . . . . 67.27 114.996 -170.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' CYS . . . . . . . . . . . . . 26.9 p -76.0 170.96 15.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.046 -0.724 . . . . 49.92 109.046 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 185' ' ' ASP . 10.6 p-10 -62.05 -36.86 82.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.467 -0.333 . . . . 63.14 110.312 -176.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.1 -36.73 69.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.724 0.64 . . . . 43.68 110.114 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 13.2 m -67.03 -52.45 42.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 45.28 111.091 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -48.05 -28.11 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 94.16 111.723 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.91 -20.26 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.393 0.516 . . . . 56.16 112.393 -173.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' MET . . . . . . . . . . . . . 56.9 mtt -73.53 145.07 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 47.32 112.138 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' LYS . . . . . . . . . . . . . . . -58.89 -37.97 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.871 -0.789 . . . . 54.61 108.871 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . . . -46.83 -26.01 0.88 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.074 -0.512 . . . . 55.63 110.525 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -125.53 16.01 8.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 55.34 110.497 -169.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 96.52 -15.37 62.89 Favored Glycine 0 C--N 1.328 0.136 0 CA-C-N 115.927 -0.579 . . . . 65.46 111.969 171.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -64.57 172.1 19.38 Favored Glycine 0 N--CA 1.46 0.251 0 N-CA-C 111.649 -0.581 . . . . 63.24 111.649 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -86.67 -9.08 6.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.646 1.564 . . . . 65.96 113.015 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 54.1 t30 66.49 51.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.438 0.903 . . . . 65.12 113.438 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' LYS . . . . . . . . . . . . . . . -112.24 -17.01 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 59.29 110.452 -174.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 23.3 mm -92.75 -48.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.164 -0.68 . . . . 56.36 109.164 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 60.26 57.39 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.57 0.582 . . . . 57.88 112.57 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -132.78 157.49 44.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.388 -0.369 . . . . 35.68 110.358 166.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -52.3 148.39 6.66 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 115.052 1.501 . . . . 36.8 115.052 169.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 36.2 t -36.31 139.96 0.15 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.538 -0.756 . . . . 33.27 111.573 162.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -64.16 -27.98 69.45 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.923 -0.711 . . . . 50.51 112.341 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.02 -2.88 49.8 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.864 -0.734 . . . . 43.64 109.483 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -108.34 -8.5 15.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.709 1.003 . . . . 55.99 113.709 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.66 122.08 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.238 -0.585 . . . . 40.83 111.265 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.96 135.92 35.76 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.69 -0.485 . . . . 51.01 109.69 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . . . -73.4 -20.26 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.185 -0.606 . . . . 55.95 109.827 -172.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.05 -50.0 5.03 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.524 0.935 . . . . 64.34 113.524 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -100.39 -9.39 22.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.39 1.255 . . . . 85.28 114.39 -163.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' ALA . . . . . . . . . . . . . . . -74.69 158.02 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.717 0.636 . . . . 57.63 112.717 -171.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -59.85 127.29 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 85.4 110.181 166.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -45.2 -47.28 12.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.034 -0.728 . . . . 69.89 109.034 -174.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.2 p -78.06 2.28 18.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.074 0.768 . . . . 67.57 113.074 -168.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -88.22 -29.84 20.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.442 0.534 . . . . 58.01 112.442 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -62.38 162.65 9.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.679 1.363 . . . . 71.59 114.679 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 113.01 0.744 . . . . 75.31 113.01 -162.786 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.527 ' N2 ' ' O2 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.409 -1.72 0 C4'-C3'-C2' 101.617 -1.583 . . . . 89.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 O4'-C1'-N19 108.993 1.492 . . . . 89.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.237 0 C3'-C2'-C1' 99.508 -2.28 . . . . 81.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.177 0 C3'-C2'-C1' 99.623 -2.198 . . . . 78.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.273 1 C3'-C2'-C1' 96.699 -4.287 . . . . 63.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.49 ' N3 ' ' N1 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.074 0 C4'-C3'-O3' 105.717 -2.083 . . . . 45.74 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.156 0 O4'-C1'-N19 104.985 -3.519 . . . . 56.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.425 ' N1 ' ' N3 ' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.411 -1.839 0 P-O3'-C3' 121.622 1.602 . . . . 68.1 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.602 0.877 0 O4'-C1'-N19 110.393 3.241 . . . . 71.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.603 0.951 0 C3'-C2'-C1' 100.629 -1.479 . . . . 89.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.423 ' N1 ' ' N3 ' ' C' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.523 1.523 0 C5'-C4'-C3' 118.569 2.579 . . . . 97.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.573 ' O2 ' ' N2 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.359 0 P-O3'-C3' 122.563 2.386 . . . . 95.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.573 ' N2 ' ' O2 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.108 0 O4'-C1'-C2' 107.161 0.964 . . . . 103.85 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DC' . . . . . 0.573 ' OP2' " C2'" ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.126 0 P-O3'-C3' 121.966 1.888 . . . . 110.33 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 O4'-C1'-N19 109.435 2.044 . . . . 114.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.603 1.022 0 C4'-C3'-C2' 100.95 -2.25 . . . . 115.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.425 ' N3 ' ' N1 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.529 1.095 0 C4'-C3'-C2' 105.078 1.878 . . . . 107.22 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 C3'-C2'-C1' 99.723 -2.126 . . . . 88.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.49 ' N1 ' ' N3 ' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.52 1.065 0 P-O3'-C3' 123.513 3.177 . . . . 82.9 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.424 1 P-O3'-C3' 124.655 4.13 . . . . 67.27 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.348 0 C3'-C2'-C1' 97.404 -3.783 . . . . 66.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.155 0 O4'-C1'-N19 106.656 -1.431 . . . . 69.73 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.27 0 P-O5'-C5' 116.688 -2.632 . . . . 80.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.527 ' O2 ' ' N2 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.528 1.033 0 O4'-C4'-C3' 102.53 -3.07 . . . . 81.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . 0.51 ' O ' ' N ' ' A' ' 166' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' HOH . . . . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 111.832 0.308 . . . . 56.380000000000003 111.832 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -101.14 22.04 12.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.389 0.515 . . . . 61.409999999999997 112.389 163.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 15.9 mtp -141.57 121.07 13.26 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.956 0.354 . . . . 61.329999999999998 111.956 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 13.0 p -77.52 -31.12 53.21 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.351 -0.386 . . . . 57.299999999999997 110.658 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 84.29 10.97 79.18 Favored Glycine 0 N--CA 1.461 0.339 0 CA-C-N 116.42 -0.355 . . . . 59.109999999999999 112.79 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . . . -135.59 -20.69 1.56 Allowed 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.116 0.413 . . . . 62.609999999999999 112.116 -163.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 26.4 p -84.18 175.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.252 -0.579 . . . . 54.560000000000002 110.652 -176.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . . . -57.27 -44.02 83.58 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.494 -0.558 . . . . 52.460000000000001 109.494 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.15 94.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 123.792 0.682 . . . . 46.979999999999997 110.662 -174.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' CYS . . . . . . . . . . . . . 23.1 m -65.83 -32.12 73.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.458 0.91 . . . . 51.189999999999998 113.458 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -84.09 -16.12 44.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.899 0.857 . . . . 86.560000000000002 110.682 -172.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -74.3 135.34 42.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.546 -1.206 . . . . 61.359999999999999 110.338 -173.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 79.9 p -109.75 -5.34 15.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 115.022 1.49 . . . . 59.030000000000001 115.022 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -120.54 128.09 52.77 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 57.159999999999997 112.539 -170.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -73.21 142.19 47.32 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.425 -0.583 . . . . 48.5 109.425 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.7 -28.31 64.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.899 0.381 . . . . 48.789999999999999 111.442 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.64 87.09 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.948 -0.644 . . . . 48.909999999999997 112.193 176.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -129.46 -22.47 3.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.996 1.48 . . . . 67.269999999999996 114.996 -170.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' CYS . . . . . . . . . . . . . 26.9 p -76.0 170.96 15.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.046 -0.724 . . . . 49.920000000000002 109.046 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 185' ' ' ASP . 10.6 p-10 -62.05 -36.86 82.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.467 -0.333 . . . . 63.140000000000001 110.312 -176.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 186' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.1 -36.73 69.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.724 0.64 . . . . 43.68 110.114 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 13.2 m -67.03 -52.45 42.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 45.280000000000001 111.091 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -48.05 -28.11 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 94.159999999999997 111.723 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.91 -20.26 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.393 0.516 . . . . 56.159999999999997 112.393 -173.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' MET . . . . . . . . . . . . . 56.9 mtt -73.53 145.07 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 47.32 112.138 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' LYS . . . . . . . . . . . . . . . -58.89 -37.97 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.871 -0.789 . . . . 54.609999999999999 108.871 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . . . -46.83 -26.01 0.88 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.074 -0.512 . . . . 55.630000000000003 110.525 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -125.53 16.01 8.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 55.340000000000003 110.497 -169.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 96.52 -15.37 62.89 Favored Glycine 0 C--N 1.328 0.136 0 CA-C-N 115.927 -0.579 . . . . 65.459999999999994 111.969 171.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -64.57 172.1 19.38 Favored Glycine 0 N--CA 1.46 0.251 0 N-CA-C 111.649 -0.581 . . . . 63.240000000000002 111.649 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -86.67 -9.08 6.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.646 1.564 . . . . 65.959999999999994 113.015 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 54.1 t30 66.49 51.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.438 0.903 . . . . 65.120000000000005 113.438 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' LYS . . . . . . . . . . . . . . . -112.24 -17.01 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 59.289999999999999 110.452 -174.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 23.3 mm -92.75 -48.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.164 -0.68 . . . . 56.359999999999999 109.164 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 60.26 57.39 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.57 0.582 . . . . 57.880000000000003 112.57 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -132.78 157.49 44.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.388 -0.369 . . . . 35.68 110.358 166.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -52.3 148.39 6.66 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 115.052 1.501 . . . . 36.799999999999997 115.052 169.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 36.2 t -36.31 139.96 0.15 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.538 -0.756 . . . . 33.270000000000003 111.573 162.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -64.16 -27.98 69.45 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.923 -0.711 . . . . 50.509999999999998 112.341 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.02 -2.88 49.8 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.864 -0.734 . . . . 43.640000000000001 109.483 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -108.34 -8.5 15.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.709 1.003 . . . . 55.990000000000002 113.709 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.66 122.08 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.238 -0.585 . . . . 40.829999999999998 111.265 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.96 135.92 35.76 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.69 -0.485 . . . . 51.009999999999998 109.69 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . . . -73.4 -20.26 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.185 -0.606 . . . . 55.950000000000003 109.827 -172.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.05 -50.0 5.03 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.524 0.935 . . . . 64.340000000000003 113.524 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -100.39 -9.39 22.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.39 1.255 . . . . 85.280000000000001 114.39 -163.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' ALA . . . . . . . . . . . . . . . -74.69 158.02 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.717 0.636 . . . . 57.630000000000003 112.717 -171.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -59.85 127.29 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 85.400000000000006 110.181 166.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -45.2 -47.28 12.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.034 -0.728 . . . . 69.890000000000001 109.034 -174.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.2 p -78.06 2.28 18.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.074 0.768 . . . . 67.569999999999993 113.074 -168.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -88.22 -29.84 20.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.442 0.534 . . . . 58.009999999999998 112.442 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -62.38 162.65 9.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.679 1.363 . . . . 71.590000000000003 114.679 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 113.01 0.744 . . . . 75.310000000000002 113.01 -162.786 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.72 0 C4'-C3'-C2' 101.617 -1.583 . . . . 89.209999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 O4'-C1'-N19 108.993 1.492 . . . . 89.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.237 0 C3'-C2'-C1' 99.508 -2.28 . . . . 81.590000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.177 0 C3'-C2'-C1' 99.623 -2.198 . . . . 78.569999999999993 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.273 1 C3'-C2'-C1' 96.699 -4.287 . . . . 63.009999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DC' . . . . . 0.71 " H2'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.074 0 C4'-C3'-O3' 105.717 -2.083 . . . . 45.740000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DG' . . . . . 0.71 ' C8 ' " H2'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.156 0 O4'-C1'-N19 104.985 -3.519 . . . . 56.399999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.839 0 P-O3'-C3' 121.622 1.602 . . . . 68.099999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.602 0.877 0 O4'-C1'-N19 110.393 3.241 . . . . 71.909999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DG' . . . . . 0.578 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 P--O5' 1.603 0.951 0 C3'-C2'-C1' 100.629 -1.479 . . . . 89.519999999999996 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DG' . . . . . 0.578 ' OP2' H2'' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.523 1.523 0 C5'-C4'-C3' 118.569 2.579 . . . . 97.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.359 0 P-O3'-C3' 122.563 2.386 . . . . 95.870000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DG' . . . . . 0.887 H2'' ' OP2' ' C' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.108 0 O4'-C1'-C2' 107.161 0.964 . . . . 103.84999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DC' . . . . . 0.887 ' OP2' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.126 0 P-O3'-C3' 121.966 1.888 . . . . 110.33 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DC' . . . . . 0.639 H2'' ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 O4'-C1'-N19 109.435 2.044 . . . . 114.8 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DA' . . . . . 0.639 ' C8 ' H2'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O5' 1.603 1.022 0 C4'-C3'-C2' 100.95 -2.25 . . . . 115.40000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DT' . . . . . 0.875 H2'' " H5'" ' C' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.529 1.095 0 C4'-C3'-C2' 105.078 1.878 . . . . 107.22 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DC' . . . . . 0.875 " H5'" H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 C3'-C2'-C1' 99.723 -2.126 . . . . 88.569999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.065 0 P-O3'-C3' 123.513 3.177 . . . . 82.900000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.424 1 P-O3'-C3' 124.655 4.13 . . . . 67.269999999999996 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.348 0 C3'-C2'-C1' 97.404 -3.783 . . . . 66.939999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.155 0 O4'-C1'-N19 106.656 -1.431 . . . . 69.730000000000004 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.27 0 P-O5'-C5' 116.688 -2.632 . . . . 80.180000000000007 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.528 1.033 0 O4'-C4'-C3' 102.53 -3.07 . . . . 81.840000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . 0.51 ' O ' ' N ' ' A' ' 166' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 6' ' ' HOH . . . . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 111.832 0.308 . . . . 56.38 111.832 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -101.14 22.04 12.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.389 0.515 . . . . 61.41 112.389 163.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 15.9 mtp -141.57 121.07 13.26 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.956 0.354 . . . . 61.33 111.956 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' CYS . . . . . . . . . . . . . 13.0 p -77.52 -31.12 53.21 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.351 -0.386 . . . . 57.3 110.658 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 84.29 10.97 79.18 Favored Glycine 0 N--CA 1.461 0.339 0 CA-C-N 116.42 -0.355 . . . . 59.11 112.79 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . . . -135.59 -20.69 1.56 Allowed 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.116 0.413 . . . . 62.61 112.116 -163.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 26.4 p -84.18 175.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.252 -0.579 . . . . 54.56 110.652 -176.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . . . -57.27 -44.02 83.58 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.494 -0.558 . . . . 52.46 109.494 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.15 94.47 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 123.792 0.682 . . . . 46.98 110.662 -174.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' CYS . . . . . . . . . . . . . 23.1 m -65.83 -32.12 73.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.458 0.91 . . . . 51.19 113.458 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -84.09 -16.12 44.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.899 0.857 . . . . 86.56 110.682 -172.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -74.3 135.34 42.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.546 -1.206 . . . . 61.36 110.338 -173.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 79.9 p -109.75 -5.34 15.62 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 115.022 1.49 . . . . 59.03 115.022 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -120.54 128.09 52.77 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 57.16 112.539 -170.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -73.21 142.19 47.32 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.425 -0.583 . . . . 48.5 109.425 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' CYS . . . . . . . . . . . . . 22.0 p -70.7 -28.31 64.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.899 0.381 . . . . 48.79 111.442 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.64 87.09 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.948 -0.644 . . . . 48.91 112.193 176.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -129.46 -22.47 3.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.996 1.48 . . . . 67.27 114.996 -170.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' CYS . . . . . . . . . . . . . 26.9 p -76.0 170.96 15.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.046 -0.724 . . . . 49.92 109.046 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 185' ' ' ASP . 10.6 p-10 -62.05 -36.86 82.9 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.467 -0.333 . . . . 63.14 110.312 -176.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -72.1 -36.73 69.54 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.724 0.64 . . . . 43.68 110.114 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 13.2 m -67.03 -52.45 42.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 45.28 111.091 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -48.05 -28.11 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 94.16 111.723 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.91 -20.26 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.393 0.516 . . . . 56.16 112.393 -173.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' MET . . . . . . . . . . . . . 56.9 mtt -73.53 145.07 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 47.32 112.138 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' LYS . . . . . . . . . . . . . . . -58.89 -37.97 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.871 -0.789 . . . . 54.61 108.871 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . . . -46.83 -26.01 0.88 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.074 -0.512 . . . . 55.63 110.525 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -125.53 16.01 8.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 55.34 110.497 -169.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 96.52 -15.37 62.89 Favored Glycine 0 C--N 1.328 0.136 0 CA-C-N 115.927 -0.579 . . . . 65.46 111.969 171.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -64.57 172.1 19.38 Favored Glycine 0 N--CA 1.46 0.251 0 N-CA-C 111.649 -0.581 . . . . 63.24 111.649 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -86.67 -9.08 6.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.646 1.564 . . . . 65.96 113.015 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 54.1 t30 66.49 51.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.438 0.903 . . . . 65.12 113.438 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' LYS . . . . . . . . . . . . . . . -112.24 -17.01 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 59.29 110.452 -174.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 23.3 mm -92.75 -48.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.164 -0.68 . . . . 56.36 109.164 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 60.26 57.39 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.57 0.582 . . . . 57.88 112.57 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -132.78 157.49 44.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.388 -0.369 . . . . 35.68 110.358 166.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -52.3 148.39 6.66 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 115.052 1.501 . . . . 36.8 115.052 169.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' CYS . . . . . . . . . . . . . 36.2 t -36.31 139.96 0.15 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.538 -0.756 . . . . 33.27 111.573 162.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -64.16 -27.98 69.45 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.923 -0.711 . . . . 50.51 112.341 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.02 -2.88 49.8 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.864 -0.734 . . . . 43.64 109.483 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' ARG . . . . . . . . . . . . . 34.4 mtp-105 -108.34 -8.5 15.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.709 1.003 . . . . 55.99 113.709 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -61.66 122.08 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.238 -0.585 . . . . 40.83 111.265 174.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.96 135.92 35.76 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.69 -0.485 . . . . 51.01 109.69 -174.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GLN . . . . . . . . . . . . . . . -73.4 -20.26 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.185 -0.606 . . . . 55.95 109.827 -172.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.05 -50.0 5.03 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.524 0.935 . . . . 64.34 113.524 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -100.39 -9.39 22.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.39 1.255 . . . . 85.28 114.39 -163.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' ALA . . . . . . . . . . . . . . . -74.69 158.02 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.717 0.636 . . . . 57.63 112.717 -171.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -59.85 127.29 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 85.4 110.181 166.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -45.2 -47.28 12.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.034 -0.728 . . . . 69.89 109.034 -174.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.2 p -78.06 2.28 18.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.074 0.768 . . . . 67.57 113.074 -168.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -88.22 -29.84 20.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.442 0.534 . . . . 58.01 112.442 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -62.38 162.65 9.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.679 1.363 . . . . 71.59 114.679 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 113.01 0.744 . . . . 75.31 113.01 -162.786 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.72 0 C4'-C3'-C2' 101.617 -1.583 . . . . 89.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 O4'-C1'-N19 108.993 1.492 . . . . 89.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.237 0 C3'-C2'-C1' 99.508 -2.28 . . . . 81.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.177 0 C3'-C2'-C1' 99.623 -2.198 . . . . 78.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.273 1 C3'-C2'-C1' 96.699 -4.287 . . . . 63.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.71 " H2'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.074 0 C4'-C3'-O3' 105.717 -2.083 . . . . 45.74 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.71 ' C8 ' " H2'" ' B' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.156 0 O4'-C1'-N19 104.985 -3.519 . . . . 56.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.839 0 P-O3'-C3' 121.622 1.602 . . . . 68.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.602 0.877 0 O4'-C1'-N19 110.393 3.241 . . . . 71.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.578 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 P--O5' 1.603 0.951 0 C3'-C2'-C1' 100.629 -1.479 . . . . 89.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.578 ' OP2' H2'' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.523 1.523 0 C5'-C4'-C3' 118.569 2.579 . . . . 97.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.359 0 P-O3'-C3' 122.563 2.386 . . . . 95.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.887 H2'' ' OP2' ' C' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.108 0 O4'-C1'-C2' 107.161 0.964 . . . . 103.85 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DC' . . . . . 0.887 ' OP2' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.126 0 P-O3'-C3' 121.966 1.888 . . . . 110.33 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.639 H2'' ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 O4'-C1'-N19 109.435 2.044 . . . . 114.8 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.639 ' C8 ' H2'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O5' 1.603 1.022 0 C4'-C3'-C2' 100.95 -2.25 . . . . 115.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.875 H2'' " H5'" ' C' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.529 1.095 0 C4'-C3'-C2' 105.078 1.878 . . . . 107.22 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DC' . . . . . 0.875 " H5'" H2'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 C3'-C2'-C1' 99.723 -2.126 . . . . 88.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.065 0 P-O3'-C3' 123.513 3.177 . . . . 82.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.424 1 P-O3'-C3' 124.655 4.13 . . . . 67.27 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.348 0 C3'-C2'-C1' 97.404 -3.783 . . . . 66.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.155 0 O4'-C1'-N19 106.656 -1.431 . . . . 69.73 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.27 0 P-O5'-C5' 116.688 -2.632 . . . . 80.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.528 1.033 0 O4'-C4'-C3' 102.53 -3.07 . . . . 81.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . 0.51 ' O ' ' N ' ' A' ' 166' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_