data_5kb2_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 5kb2 _Structure_validation_residue.Date_analyzed 2016-10-13 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 ' 1' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 113.26 0.837 . . . . 87.239999999999995 113.26 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 203' ' ' HOH . 21.3 t-105 -67.19 -48.45 67.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.002 -0.999 . . . . 101.56999999999999 111.506 -176.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.98 -28.8 67.75 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.086 -0.645 . . . . 51.310000000000002 110.696 -175.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.28 -36.32 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.514 -0.874 . . . . 60.590000000000003 110.74 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.68 -44.36 96.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.475 0.179 . . . . 69.890000000000001 111.033 172.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' OE2' ' O ' ' A' ' 201' ' ' HOH . 27.2 mt-10 -52.16 -52.24 53.07 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.723 0.773 . . . . 64.0 111.279 176.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.93 -32.19 69.02 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.077 -0.511 . . . . 73.269999999999996 111.403 -174.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.73 -42.26 95.33 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.927 -0.709 . . . . 79.319999999999993 111.341 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.29 -46.41 90.42 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.417 -0.513 . . . . 50.170000000000002 110.66 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.04 90.63 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.839 -0.745 . . . . 59.060000000000002 111.15 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.1 93.37 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.43 -0.508 . . . . 46.950000000000003 111.454 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.85 84.08 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 121.897 -0.502 . . . . 45.799999999999997 110.975 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.2 -44.11 95.38 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.729 -0.788 . . . . 55.460000000000001 110.653 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.2 m -69.6 -37.73 77.03 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 118.837 -1.145 . . . . 55.119999999999997 110.986 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.11 -39.44 93.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.631 -1.227 . . . . 99.450000000000003 111.356 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 -38.66 91.91 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.973 -0.691 . . . . 66.459999999999994 111.347 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.02 -35.34 79.7 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.154 -0.341 . . . . 72.560000000000002 111.322 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.87 83.72 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.692 -0.403 . . . . 48.159999999999997 111.618 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.36 -33.25 72.79 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.967 -0.693 . . . . 65.0 111.539 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.33 -45.08 94.84 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 121.831 -0.543 . . . . 66.260000000000005 110.792 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -61.14 -45.04 96.27 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.983 0.364 . . . . 66.079999999999998 111.983 175.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -61.1 -37.42 82.69 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 121.876 -0.515 . . . . 91.439999999999998 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 23' ' ' LEU . 7.1 tt -70.06 -35.93 74.6 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 121.552 -0.717 . . . . 71.269999999999996 111.219 179.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.14 -39.01 93.44 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 120.801 0.334 . . . . 76.430000000000007 111.358 175.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.86 -40.96 88.02 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 121.831 -0.543 . . . . 44.170000000000002 112.042 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.72 -45.92 87.77 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.166 0.508 . . . . 52.57 111.261 175.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -55.57 -39.21 70.35 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.89 -0.724 . . . . 51.210000000000001 111.241 178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.99 -43.49 98.79 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.297 -0.561 . . . . 75.099999999999994 111.429 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -68.5 -39.97 81.07 Favored 'General case' 0 C--O 1.242 0.682 0 O-C-N 121.867 -0.521 . . . . 61.479999999999997 110.868 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.72 -42.45 99.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.593 -0.443 . . . . 66.420000000000002 110.73 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.5 -32.7 74.22 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.24 -0.984 . . . . 37.159999999999997 112.582 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.47 95.66 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.249 -0.58 . . . . 37.479999999999997 110.896 173.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.35 -42.25 75.51 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.934 0.397 . . . . 59.530000000000001 111.429 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.22 -29.36 70.46 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.651 -0.704 . . . . 51.75 112.164 -175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -118.86 23.5 11.39 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.468 0.914 . . . . 52.130000000000003 113.468 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.453 0 C-N-CA 120.125 -1.036 . . . . 67.930000000000007 113.399 -175.66 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.528 ' O ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.45 ' O ' ' NE1' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 113.26 0.837 . . . . 72.700000000000003 113.26 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 203' ' ' HOH . 21.3 t-105 -67.19 -48.45 67.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.002 -0.999 . . . . 84.640000000000001 111.506 -176.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.98 -28.8 67.75 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.086 -0.645 . . . . 42.759999999999998 110.696 -175.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.28 -36.32 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.514 -0.874 . . . . 50.490000000000002 110.74 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.68 -44.36 96.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.475 0.179 . . . . 58.25 111.033 172.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' OE2' ' O ' ' A' ' 201' ' ' HOH . 27.2 mt-10 -52.16 -52.24 53.07 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.723 0.773 . . . . 62.0 111.279 176.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.93 -32.19 69.02 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.077 -0.511 . . . . 61.060000000000002 111.403 -174.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.73 -42.26 95.33 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.927 -0.709 . . . . 66.099999999999994 111.341 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.29 -46.41 90.42 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.417 -0.513 . . . . 41.810000000000002 110.66 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.04 90.63 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.839 -0.745 . . . . 49.219999999999999 111.15 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.1 93.37 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.43 -0.508 . . . . 41.280000000000001 111.454 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.85 84.08 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 121.897 -0.502 . . . . 38.170000000000002 110.975 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.2 -44.11 95.38 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.729 -0.788 . . . . 55.460000000000001 110.653 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.2 m -69.6 -37.73 77.03 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 118.837 -1.145 . . . . 45.939999999999998 110.986 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.11 -39.44 93.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.631 -1.227 . . . . 82.870000000000005 111.356 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 -38.66 91.91 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.973 -0.691 . . . . 56.399999999999999 111.347 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.02 -35.34 79.7 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.154 -0.341 . . . . 60.460000000000001 111.322 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.87 83.72 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.692 -0.403 . . . . 40.130000000000003 111.618 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.36 -33.25 72.79 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.967 -0.693 . . . . 54.170000000000002 111.539 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.33 -45.08 94.84 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 121.831 -0.543 . . . . 66.260000000000005 110.792 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -61.14 -45.04 96.27 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.983 0.364 . . . . 55.07 111.983 175.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -61.1 -37.42 82.69 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 121.876 -0.515 . . . . 76.200000000000003 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.06 -35.93 74.6 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 121.552 -0.717 . . . . 59.390000000000001 111.219 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.14 -39.01 93.44 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 120.801 0.334 . . . . 65.010000000000005 111.358 175.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.86 -40.96 88.02 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 121.831 -0.543 . . . . 36.810000000000002 112.042 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.72 -45.92 87.77 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.166 0.508 . . . . 43.810000000000002 111.261 175.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -55.57 -39.21 70.35 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.89 -0.724 . . . . 49.490000000000002 111.241 178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.99 -43.49 98.79 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.297 -0.561 . . . . 62.579999999999998 111.429 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -68.5 -39.97 81.07 Favored 'General case' 0 C--O 1.242 0.682 0 O-C-N 121.867 -0.521 . . . . 51.240000000000002 110.868 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.72 -42.45 99.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.593 -0.443 . . . . 55.350000000000001 110.73 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.5 -32.7 74.22 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.24 -0.984 . . . . 34.109999999999999 112.582 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.47 95.66 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.249 -0.58 . . . . 37.479999999999997 110.896 173.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.35 -42.25 75.51 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.934 0.397 . . . . 49.600000000000001 111.429 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.22 -29.36 70.46 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.651 -0.704 . . . . 45.890000000000001 112.164 -175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -118.86 23.5 11.39 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.468 0.914 . . . . 52.130000000000003 113.468 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.453 0 C-N-CA 120.125 -1.036 . . . . 67.930000000000007 113.399 -175.66 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.528 ' O ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.45 ' O ' ' NE1' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 113.26 0.837 . . . . 72.700000000000003 113.26 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 203' ' ' HOH . 21.3 t-105 -67.19 -48.45 67.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.002 -0.999 . . . . 84.640000000000001 111.506 -176.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.98 -28.8 67.75 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.086 -0.645 . . . . 42.759999999999998 110.696 -175.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.28 -36.32 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.514 -0.874 . . . . 50.490000000000002 110.74 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.68 -44.36 96.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.475 0.179 . . . . 58.25 111.033 172.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' OE2' ' O ' ' A' ' 201' ' ' HOH . 27.2 mt-10 -52.16 -52.24 53.07 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.723 0.773 . . . . 62.0 111.279 176.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.93 -32.19 69.02 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.077 -0.511 . . . . 61.060000000000002 111.403 -174.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.73 -42.26 95.33 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.927 -0.709 . . . . 66.099999999999994 111.341 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.29 -46.41 90.42 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.417 -0.513 . . . . 41.810000000000002 110.66 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.04 90.63 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.839 -0.745 . . . . 49.219999999999999 111.15 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.1 93.37 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.43 -0.508 . . . . 41.280000000000001 111.454 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.85 84.08 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 121.897 -0.502 . . . . 38.170000000000002 110.975 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.2 -44.11 95.38 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.729 -0.788 . . . . 55.460000000000001 110.653 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.2 m -69.6 -37.73 77.03 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 118.837 -1.145 . . . . 45.939999999999998 110.986 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.11 -39.44 93.11 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 118.631 -1.227 . . . . 82.870000000000005 111.356 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 -38.66 91.91 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.973 -0.691 . . . . 56.399999999999999 111.347 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.02 -35.34 79.7 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.154 -0.341 . . . . 60.460000000000001 111.322 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.87 83.72 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.692 -0.403 . . . . 40.130000000000003 111.618 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.36 -33.25 72.79 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.967 -0.693 . . . . 54.170000000000002 111.539 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.33 -45.08 94.84 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 121.831 -0.543 . . . . 66.260000000000005 110.792 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -61.14 -45.04 96.27 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.983 0.364 . . . . 55.07 111.983 175.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -61.1 -37.42 82.69 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 121.876 -0.515 . . . . 76.200000000000003 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.06 -35.93 74.6 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 121.552 -0.717 . . . . 59.390000000000001 111.219 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -63.14 -39.01 93.44 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 120.801 0.334 . . . . 65.010000000000005 111.358 175.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.86 -40.96 88.02 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 121.831 -0.543 . . . . 36.810000000000002 112.042 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.72 -45.92 87.77 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.166 0.508 . . . . 43.810000000000002 111.261 175.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -55.57 -39.21 70.35 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.89 -0.724 . . . . 49.490000000000002 111.241 178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.99 -43.49 98.79 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 120.297 -0.561 . . . . 62.579999999999998 111.429 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -68.5 -39.97 81.07 Favored 'General case' 0 C--O 1.242 0.682 0 O-C-N 121.867 -0.521 . . . . 51.240000000000002 110.868 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.72 -42.45 99.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.593 -0.443 . . . . 55.350000000000001 110.73 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.5 -32.7 74.22 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 119.24 -0.984 . . . . 34.109999999999999 112.582 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.47 95.66 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.249 -0.58 . . . . 37.479999999999997 110.896 173.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.35 -42.25 75.51 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.934 0.397 . . . . 49.600000000000001 111.429 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.22 -29.36 70.46 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.651 -0.704 . . . . 45.890000000000001 112.164 -175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -118.86 23.5 11.39 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.468 0.914 . . . . 52.130000000000003 113.468 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.453 0 C-N-CA 120.125 -1.036 . . . . 67.930000000000007 113.399 -175.66 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.528 ' O ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.45 ' O ' ' NE1' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_