data_3gxq_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 3gxq _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 ' 7' ' ' ASN . . . . . 0.621 ' OD1' ' N ' ' A' ' 8' ' ' SER . 21.7 t-20 . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 109.027 -0.731 . . . . 61.200000000000003 109.027 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . 0.621 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 68.0 m 67.18 -169.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.991 0.737 . . . . 60.159999999999997 112.991 -179.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t -72.27 133.15 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 119.633 3.198 . . . . 49.950000000000003 119.633 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -173.92 148.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.31 -1.314 . . . . 41.409999999999997 108.62 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.96 132.0 52.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.171 1.174 . . . . 47.82 114.171 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.38 -6.64 71.56 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 121.242 -0.504 . . . . 34.869999999999997 113.363 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.06 134.23 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 45.399999999999999 107.984 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -71.49 139.56 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 43.689999999999998 110.747 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -70.14 158.85 35.0 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.304 -0.407 . . . . 51.75 110.53 179.2 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -82.63 159.2 22.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.788 -1.56 . . . . 40.990000000000002 106.788 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.61 145.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 32.539999999999999 111.014 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 125.83 25.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 115.419 1.637 . . . . 33.399999999999999 115.419 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.2 tp -119.59 120.4 36.58 Favored 'General case' 0 CA--C 1.516 -0.345 1 N-CA-C 99.558 -4.238 . . . . 28.010000000000002 99.558 175.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -133.26 117.0 16.86 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.339 -0.846 . . . . 35.030000000000001 110.484 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 158.11 42.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.975 1.472 . . . . 29.579999999999998 114.975 177.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' O ' ' NE ' ' B' ' 48' ' ' ARG . 58.2 mt -89.49 135.4 33.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.671 -1.15 . . . . 29.260000000000002 108.006 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.57 163.98 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.062 -0.718 . . . . 26.870000000000001 109.062 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -66.79 153.84 93.1 Favored Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 108.77 -0.826 . . . . 43.729999999999997 108.77 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.13 -50.81 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.377 2.718 . . . . 26.859999999999999 110.371 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -52.89 -44.59 67.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 121.112 -0.235 . . . . 41.210000000000001 110.439 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.2 ttp -62.78 -47.55 83.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.19 -0.604 . . . . 38.399999999999999 112.46 -178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' B' ' 18' ' ' SER . 83.2 tttt -62.97 -30.51 71.63 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.041 -0.663 . . . . 30.550000000000001 111.718 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.95 -38.68 72.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.174 -0.611 . . . . 32.07 111.387 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.51 -41.07 98.53 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.15 -0.685 . . . . 45.469999999999999 109.15 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -66.16 -36.41 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.309 -0.859 . . . . 26.539999999999999 111.542 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.6 mt -71.45 -43.1 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 116.27 -0.423 . . . . 27.100000000000001 109.885 179.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -60.04 -46.36 89.79 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.768 -1.197 . . . . 45.560000000000002 107.768 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.84 -38.2 75.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.181 0.515 . . . . 38.990000000000002 111.653 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.62 75.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 27.059999999999999 112.445 -178.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.23 -36.94 74.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.229 -0.441 . . . . 34.32 111.494 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -84.72 -28.44 26.3 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 116.615 2.08 . . . . 55.960000000000001 116.615 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -119.07 -22.03 7.4 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 115.795 1.776 . . . . 49.869999999999997 115.795 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 49' ' ' GLU . 39.5 m-20 -122.47 24.16 9.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 120.324 3.453 . . . . 36.850000000000001 120.324 -176.571 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 58.92 39.17 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 41.880000000000003 112.238 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 t70 63.93 13.62 7.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.386 1.254 . . . . 34.289999999999999 114.386 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -83.92 99.62 10.49 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 105.054 -2.202 . . . . 28.420000000000002 105.054 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.54 -40.39 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 114.374 1.25 . . . . 24.52 114.374 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.2 p -65.73 -33.37 75.72 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.368 -0.833 . . . . 36.560000000000002 110.078 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -67.14 -41.51 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.507 -1.294 . . . . 45.039999999999999 107.507 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.68 81.87 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.207 -0.451 . . . . 25.219999999999999 110.608 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.72 -37.61 93.66 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.99 -0.624 . . . . 21.789999999999999 112.176 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' B' ' 22' ' ' LEU . 51.3 mtt85 -68.15 -46.59 70.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 117.203 0.501 . . . . 39.740000000000002 111.261 -179.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE2' ' OD2' ' A' ' 39' ' ' ASP . 68.6 mt-10 -57.53 -45.6 84.84 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.278 0.361 . . . . 35.310000000000002 110.154 179.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.04 -41.42 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.581 -0.282 . . . . 27.489999999999998 110.244 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.48 -43.19 99.31 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.477 -0.934 . . . . 29.949999999999999 108.477 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.3 -40.75 91.6 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 122.133 -0.354 . . . . 45.259999999999998 110.131 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -67.7 -33.66 75.34 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.733 -0.469 . . . . 48.310000000000002 109.733 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.16 -36.13 60.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 109.931 -1.268 . . . . 39.659999999999997 109.931 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.42 -39.88 85.5 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.867 1.432 . . . . 44.079999999999998 114.867 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -16.91 63.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.349 -0.94 . . . . 50.670000000000002 112.189 179.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -81.22 -14.42 57.52 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.891 -0.781 . . . . 59.219999999999999 108.891 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 27.5 mm -86.38 -45.55 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 104.988 -2.227 . . . . 64.909999999999997 104.988 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 58' ' ' ILE . . . . . . . . 0 C--O 1.256 1.418 0 CA-C-N 114.404 -1.271 . . . . 70.409999999999997 108.375 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.924 0.392 . . . . 66.700000000000003 111.093 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -51.09 -61.93 1.93 Allowed 'General case' 0 C--O 1.24 0.577 1 N-CA-C 121.88 4.03 . . . . 57.0 121.88 -176.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.2 p -50.91 -34.44 28.4 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.661 -0.815 . . . . 50.920000000000002 109.88 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.79 -48.16 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 47.039999999999999 111.696 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.61 -26.93 64.2 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.731 1.011 . . . . 50.390000000000001 113.731 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -95.71 11.72 32.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.303 0.853 . . . . 41.909999999999997 113.303 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.85 -2.9 60.37 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 119.747 2.659 . . . . 43.469999999999999 119.747 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -66.93 118.83 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.557 0.679 . . . . 49.170000000000002 110.656 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.64 129.46 44.03 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 116.046 1.869 . . . . 48.869999999999997 116.046 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -68.93 130.17 42.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.428 -0.805 . . . . 49.210000000000001 108.962 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -74.75 145.87 42.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.957 0.725 . . . . 36.75 112.957 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -111.67 148.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 124.05 0.94 . . . . 32.100000000000001 112.719 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . 0.414 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 28.9 t -70.69 131.35 43.75 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 116.75 2.13 . . . . 30.710000000000001 116.75 -178.113 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 115.91 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 101.709 -3.441 . . . . 28.190000000000001 101.709 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -123.98 116.18 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.951 -0.113 . . . . 31.98 110.906 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.36 157.98 43.84 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.77 1.026 . . . . 32.0 113.77 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . 0.435 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 73.5 mt -89.8 138.28 31.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.734 -1.21 . . . . 31.620000000000001 107.734 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.64 153.9 39.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.505 -0.554 . . . . 30.18 109.505 178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' B' ' 60' ' ' HOH . 60.0 m-20 -64.49 140.33 97.96 Favored Pre-proline 0 CA--C 1.516 -0.345 0 N-CA-C 105.1 -2.185 . . . . 43.020000000000003 105.1 178.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -52.01 -33.06 50.97 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.013 2.475 . . . . 30.600000000000001 113.969 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.98 -39.49 87.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 41.869999999999997 110.566 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 53.2 ttp -70.91 -36.52 72.73 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.94 -0.704 . . . . 38.68 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -65.99 -42.52 89.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.304 -0.959 . . . . 33.759999999999998 109.774 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.3 -32.23 66.45 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.833 -0.803 . . . . 34.329999999999998 108.833 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.38 -32.47 54.93 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 112.239 0.459 . . . . 41.57 112.239 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -72.29 -37.08 57.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 106.045 -1.835 . . . . 27.359999999999999 106.045 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.35 -42.49 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.131 -0.486 . . . . 29.440000000000001 111.311 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.59 -37.46 83.95 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.624 -0.88 . . . . 44.710000000000001 108.624 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -68.19 -38.36 81.91 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.045 0.45 . . . . 38.039999999999999 110.143 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.99 92.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 26.100000000000001 109.116 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -47.8 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 33.490000000000002 111.157 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -70.5 -32.54 70.07 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 114.205 1.187 . . . . 45.100000000000001 114.205 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -116.33 -34.44 4.63 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 120.217 3.414 . . . . 43.289999999999999 120.217 -176.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.63 32.65 6.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 119.017 2.969 . . . . 33.850000000000001 119.017 -175.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 51.14 43.02 29.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.222 0.534 . . . . 42.920000000000002 111.621 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 65.37 14.48 9.47 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 115.668 1.729 . . . . 27.350000000000001 115.668 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -81.52 91.64 6.38 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.554 -1.647 . . . . 25.539999999999999 106.554 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.3 t -55.02 -42.78 66.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 113.993 1.109 . . . . 24.18 113.993 -178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -57.83 -44.17 86.27 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.608 0.242 . . . . 26.809999999999999 110.99 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.82 -35.93 79.49 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 121.072 -0.251 . . . . 43.009999999999998 111.528 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.42 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.76 -1.2 . . . . 28.190000000000001 107.76 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -37.36 92.57 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 121.211 -0.518 . . . . 27.850000000000001 112.973 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ARG . . . . . 0.713 ' NH2' ' OP2' ' D' ' 4' ' ' ' DA' . 12.9 mtt180 -66.51 -48.8 68.63 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.315 0.558 . . . . 30.670000000000002 111.078 178.864 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.05 -42.76 99.09 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-O 121.137 0.494 . . . . 41.909999999999997 110.239 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.26 -47.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.082 -0.508 . . . . 29.32 110.425 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 mt -59.45 -39.38 83.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.485 -0.486 . . . . 28.719999999999999 110.439 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -64.32 -39.75 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 43.340000000000003 111.803 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -66.11 -39.76 90.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.095 -1.076 . . . . 40.530000000000001 108.095 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.53 -39.62 96.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.301 -0.952 . . . . 39.100000000000001 111.618 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 59.3 mt -68.13 -34.07 75.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.249 . . . . 44.100000000000001 110.742 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.22 -30.37 71.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 56.469999999999999 111.068 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' B' ' 58' ' ' ILE . 0.2 OUTLIER -62.15 -76.21 0.06 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 103.647 -2.723 . . . . 66.680000000000007 103.647 176.954 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' B' ' 57' ' ' GLN . 29.4 mm -21.49 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 CA-C-N 114.727 -1.124 . . . . 63.93 113.047 178.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.924 0 CA-C-O 115.341 -2.266 . . . . 66.280000000000001 111.768 -177.439 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.474 0 O5'-C5'-C4' 113.449 2.32 . . . . 61.859999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.404 " C2'" ' CD1' ' B' ' 22' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.182 0 N19-C1'-C2' 118.827 2.892 . . . . 56.490000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.41 ' OP2' ' NH2' ' A' ' 48' ' ' ARG . . . . . . . . 0 O5'--C5' 1.42 -1.262 0 C5'-C4'-C3' 111.482 -2.145 . . . . 40.770000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.494 0 C5'-C4'-O4' 106.771 -1.643 . . . . 48.729999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.001 0 C5'-C4'-C3' 109.919 -3.188 . . . . 57.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 C5'-C4'-C3' 110.552 -2.765 . . . . 74.599999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.323 0 C5'-C4'-O4' 107.731 -1.043 . . . . 79.540000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 N19-C1'-C2' 118.724 2.828 . . . . 79.939999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.581 0 C5'-C4'-C3' 112.92 -1.187 . . . . 76.700000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C5'-C4'-C3' 111.972 -1.819 . . . . 74.180000000000007 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.591 ' N3 ' " C2'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.546 1.761 1 O4'-C1'-N19 102.035 -7.206 . . . . 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.918 0 C5'-C4'-O4' 104.714 -2.929 . . . . 54.329999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' ' DA' . . . . . 0.713 ' OP2' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O5'--C5' 1.417 -1.424 0 N19-C1'-C2' 118.032 2.395 . . . . 42.329999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.914 0 C5'-C4'-O4' 105.127 -2.671 . . . . 46.060000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.475 0 C5'-C4'-O4' 105.488 -2.445 . . . . 57.789999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.178 0 N19-C1'-C2' 119.5 3.313 . . . . 68.579999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.457 0 C5'-C4'-O4' 104.982 -2.761 . . . . 74.689999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-C3' 112.119 -1.721 . . . . 70.180000000000007 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 N19-C1'-C2' 118.573 2.733 . . . . 73.620000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 118.577 2.735 . . . . 78.780000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C2'-C3'-O3' 104.074 -2.417 . . . . 79.650000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . 0.582 ' O ' ' N ' ' B' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASN . . . . . 0.617 ' OD1' ' N ' ' A' ' 8' ' ' SER . 21.7 t-20 . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 109.027 -0.731 . . . . 61.200000000000003 109.027 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . 0.617 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 68.0 m 67.18 -169.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.991 0.737 . . . . 60.159999999999997 112.991 -179.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t -72.27 133.15 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 119.633 3.198 . . . . 49.950000000000003 119.633 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -173.92 148.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.31 -1.314 . . . . 41.409999999999997 108.62 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.96 132.0 52.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.171 1.174 . . . . 47.82 114.171 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.38 -6.64 71.56 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 121.242 -0.504 . . . . 34.869999999999997 113.363 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 8' ' ' SER . 84.8 tttt -56.06 134.23 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 45.399999999999999 107.984 179.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . 0.765 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 8.3 tmtt? -71.49 139.56 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 43.689999999999998 110.747 -179.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.765 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.14 158.85 35.0 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.304 -0.407 . . . . 51.75 110.53 179.2 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -82.63 159.2 22.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.788 -1.56 . . . . 40.990000000000002 106.788 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.61 145.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 32.539999999999999 111.014 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 125.83 25.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 115.419 1.637 . . . . 33.399999999999999 115.419 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.2 tp -119.59 120.4 36.58 Favored 'General case' 0 CA--C 1.516 -0.345 1 N-CA-C 99.558 -4.238 . . . . 28.010000000000002 99.558 175.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -133.26 117.0 16.86 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.339 -0.846 . . . . 35.030000000000001 110.484 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD22 HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -152.07 158.11 42.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.975 1.472 . . . . 29.579999999999998 114.975 177.813 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD12 " H2'" ' D' ' 3' ' ' ' DC' . 58.2 mt -89.49 135.4 33.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.671 -1.15 . . . . 29.260000000000002 108.006 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.604 ' CG1' ' HE1' ' A' ' 27' ' ' MET . 33.6 m -135.57 163.98 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.062 -0.718 . . . . 26.870000000000001 109.062 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -66.79 153.84 93.1 Favored Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 108.77 -0.826 . . . . 43.729999999999997 108.77 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.13 -50.81 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.377 2.718 . . . . 26.859999999999999 110.371 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -52.89 -44.59 67.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 121.112 -0.235 . . . . 41.210000000000001 110.439 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . 0.604 ' HE1' ' CG1' ' A' ' 23' ' ' VAL . 5.2 ttp -62.78 -47.55 83.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.19 -0.604 . . . . 38.399999999999999 112.46 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.97 -30.51 71.63 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.041 -0.663 . . . . 30.550000000000001 111.718 179.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.95 -38.68 72.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.174 -0.611 . . . . 32.07 111.387 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.51 -41.07 98.53 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.15 -0.685 . . . . 45.469999999999999 109.15 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -66.16 -36.41 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.309 -0.859 . . . . 26.539999999999999 111.542 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . 0.521 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 38.6 mt -71.45 -43.1 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 116.27 -0.423 . . . . 27.100000000000001 109.885 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 17.7 mttt -60.04 -46.36 89.79 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.768 -1.197 . . . . 45.560000000000002 107.768 178.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.84 -38.2 75.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.181 0.515 . . . . 38.990000000000002 111.653 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.62 75.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 27.059999999999999 112.445 -178.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 40.3 mt-30 -70.23 -36.94 74.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.229 -0.441 . . . . 34.32 111.494 -179.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 9.5 pt-20 -84.72 -28.44 26.3 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 116.615 2.08 . . . . 55.960000000000001 116.615 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -119.07 -22.03 7.4 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 115.795 1.776 . . . . 49.869999999999997 115.795 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 49' ' ' GLU . 39.5 m-20 -122.47 24.16 9.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 120.324 3.453 . . . . 36.850000000000001 120.324 -176.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 58.92 39.17 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 41.880000000000003 112.238 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 t70 63.93 13.62 7.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.386 1.254 . . . . 34.289999999999999 114.386 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -83.92 99.62 10.49 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 105.054 -2.202 . . . . 28.420000000000002 105.054 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.54 -40.39 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 114.374 1.25 . . . . 24.52 114.374 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' B' ' 21' ' ' LEU . 60.2 p -65.73 -33.37 75.72 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.368 -0.833 . . . . 36.560000000000002 110.078 -178.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 63.9 tp60 -67.14 -41.51 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.507 -1.294 . . . . 45.039999999999999 107.507 177.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.68 81.87 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.207 -0.451 . . . . 25.219999999999999 110.608 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.72 -37.61 93.66 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.99 -0.624 . . . . 21.789999999999999 112.176 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 44' ' ' SER . 51.3 mtt85 -68.15 -46.59 70.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 117.203 0.501 . . . . 39.740000000000002 111.261 -179.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE2' ' OD2' ' A' ' 39' ' ' ASP . 68.6 mt-10 -57.53 -45.6 84.84 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.278 0.361 . . . . 35.310000000000002 110.154 179.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.04 -41.42 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.581 -0.282 . . . . 27.489999999999998 110.244 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.48 -43.19 99.31 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.477 -0.934 . . . . 29.949999999999999 108.477 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 62.4 tttp -60.3 -40.75 91.6 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 122.133 -0.354 . . . . 45.259999999999998 110.131 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -67.7 -33.66 75.34 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.733 -0.469 . . . . 48.310000000000002 109.733 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.16 -36.13 60.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 109.931 -1.268 . . . . 39.659999999999997 109.931 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.42 -39.88 85.5 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.867 1.432 . . . . 44.079999999999998 114.867 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -69.38 -16.91 63.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.349 -0.94 . . . . 50.670000000000002 112.189 179.332 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 2.5 tt0 -81.22 -14.42 57.52 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.891 -0.781 . . . . 59.219999999999999 108.891 178.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 27.5 mm -86.38 -45.55 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 104.988 -2.227 . . . . 64.909999999999997 104.988 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . . . . . . 0 C--O 1.256 1.418 0 CA-C-N 114.404 -1.271 . . . . 70.409999999999997 108.375 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' B' ' 9' ' ' VAL . 2.0 pt-20 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.924 0.392 . . . . 66.700000000000003 111.093 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -51.09 -61.93 1.93 Allowed 'General case' 0 C--O 1.24 0.577 1 N-CA-C 121.88 4.03 . . . . 57.0 121.88 -176.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.2 p -50.91 -34.44 28.4 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.661 -0.815 . . . . 50.920000000000002 109.88 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' B' ' 6' ' ' GLU . 2.2 t -54.79 -48.16 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 47.039999999999999 111.696 178.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.61 -26.93 64.2 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.731 1.011 . . . . 50.390000000000001 113.731 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -95.71 11.72 32.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.303 0.853 . . . . 41.909999999999997 113.303 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.85 -2.9 60.37 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 119.747 2.659 . . . . 43.469999999999999 119.747 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -66.93 118.83 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.557 0.679 . . . . 49.170000000000002 110.656 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.64 129.46 44.03 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 116.046 1.869 . . . . 48.869999999999997 116.046 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' HOH . 4.5 pttt -68.93 130.17 42.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.428 -0.805 . . . . 49.210000000000001 108.962 178.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -74.75 145.87 42.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.957 0.725 . . . . 36.75 112.957 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -111.67 148.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 124.05 0.94 . . . . 32.100000000000001 112.719 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.9 t -70.69 131.35 43.75 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 116.75 2.13 . . . . 30.710000000000001 116.75 -178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 115.91 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 101.709 -3.441 . . . . 28.190000000000001 101.709 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -123.98 116.18 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.951 -0.113 . . . . 31.98 110.906 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 0.0 OUTLIER -146.36 157.98 43.84 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.77 1.026 . . . . 32.0 113.77 179.263 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . 0.576 HD12 H2'' ' C' ' 3' ' ' ' DC' . 73.5 mt -89.8 138.28 31.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.734 -1.21 . . . . 31.620000000000001 107.734 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . 0.683 ' HB ' ' HE2' ' B' ' 27' ' ' MET . 33.2 m -131.64 153.9 39.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.505 -0.554 . . . . 30.18 109.505 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . 0.549 ' HB3' ' OD1' ' B' ' 26' ' ' ASP . 60.0 m-20 -64.49 140.33 97.96 Favored Pre-proline 0 CA--C 1.516 -0.345 0 N-CA-C 105.1 -2.185 . . . . 43.020000000000003 105.1 178.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . 0.576 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 38.1 Cg_endo -52.01 -33.06 50.97 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.013 2.475 . . . . 30.600000000000001 113.969 -179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' B' ' 24' ' ' ASP . 1.9 p-10 -66.98 -39.49 87.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 41.869999999999997 110.566 179.22 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' MET . . . . . 0.683 ' HE2' ' HB ' ' B' ' 23' ' ' VAL . 53.2 ttp -70.91 -36.52 72.73 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.94 -0.704 . . . . 38.68 111.008 -179.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -65.99 -42.52 89.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.304 -0.959 . . . . 33.759999999999998 109.774 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.3 -32.23 66.45 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.833 -0.803 . . . . 34.329999999999998 108.833 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.38 -32.47 54.93 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 112.239 0.459 . . . . 41.57 112.239 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -72.29 -37.08 57.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 106.045 -1.835 . . . . 27.359999999999999 106.045 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.35 -42.49 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.131 -0.486 . . . . 29.440000000000001 111.311 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 23.7 ttmm -61.59 -37.46 83.95 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.624 -0.88 . . . . 44.710000000000001 108.624 179.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -68.19 -38.36 81.91 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.045 0.45 . . . . 38.039999999999999 110.143 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.99 92.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 26.100000000000001 109.116 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -47.8 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 33.490000000000002 111.157 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -70.5 -32.54 70.07 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 114.205 1.187 . . . . 45.100000000000001 114.205 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -116.33 -34.44 4.63 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 120.217 3.414 . . . . 43.289999999999999 120.217 -176.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.63 32.65 6.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 119.017 2.969 . . . . 33.850000000000001 119.017 -175.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 51.14 43.02 29.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.222 0.534 . . . . 42.920000000000002 111.621 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 65.37 14.48 9.47 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 115.668 1.729 . . . . 27.350000000000001 115.668 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -81.52 91.64 6.38 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.554 -1.647 . . . . 25.539999999999999 106.554 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.3 t -55.02 -42.78 66.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 113.993 1.109 . . . . 24.18 113.993 -178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -57.83 -44.17 86.27 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.608 0.242 . . . . 26.809999999999999 110.99 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 45.4 tt0 -67.82 -35.93 79.49 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 121.072 -0.251 . . . . 43.009999999999998 111.528 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.42 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.76 -1.2 . . . . 28.190000000000001 107.76 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -37.36 92.57 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 121.211 -0.518 . . . . 27.850000000000001 112.973 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ARG . . . . . 0.703 ' NH2' ' OP2' ' D' ' 4' ' ' ' DA' . 12.9 mtt180 -66.51 -48.8 68.63 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.315 0.558 . . . . 30.670000000000002 111.078 178.864 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 45' ' ' GLN . 46.8 mt-10 -61.05 -42.76 99.09 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-O 121.137 0.494 . . . . 41.909999999999997 110.239 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.26 -47.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.082 -0.508 . . . . 29.32 110.425 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . 0.504 HD12 ' HE3' ' A' ' 27' ' ' MET . 30.4 mt -59.45 -39.38 83.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.485 -0.486 . . . . 28.719999999999999 110.439 179.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -64.32 -39.75 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 43.340000000000003 111.803 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -66.11 -39.76 90.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.095 -1.076 . . . . 40.530000000000001 108.095 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . 0.571 ' HA2' ' OE1' ' B' ' 57' ' ' GLN . . . -64.53 -39.62 96.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.301 -0.952 . . . . 39.100000000000001 111.618 -179.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 59.3 mt -68.13 -34.07 75.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.249 . . . . 44.100000000000001 110.742 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.22 -30.37 71.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 56.469999999999999 111.068 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLN . . . . . 0.571 ' OE1' ' HA2' ' B' ' 54' ' ' GLY . 3.2 mp0 -62.15 -76.21 0.06 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 103.647 -2.723 . . . . 66.680000000000007 103.647 176.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' B' ' 57' ' ' GLN . 29.4 mm -21.49 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 CA-C-N 114.727 -1.124 . . . . 63.93 113.047 178.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.924 0 CA-C-O 115.341 -2.266 . . . . 66.280000000000001 111.768 -177.439 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DA' . . . . . 0.511 H2'' " H5'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.474 0 O5'-C5'-C4' 113.449 2.32 . . . . 61.859999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DC' . . . . . 0.576 H2'' HD12 ' B' ' 22' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.182 0 N19-C1'-C2' 118.827 2.892 . . . . 56.490000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DA' . . . . . 0.582 " H1'" H5'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.262 0 C5'-C4'-C3' 111.482 -2.145 . . . . 40.770000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DT' . . . . . 0.582 H5'' " H1'" ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.416 -1.494 0 C5'-C4'-O4' 106.771 -1.643 . . . . 48.729999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DG' . . . . . 0.649 H2'' ' C8 ' ' C' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.408 -2.001 0 C5'-C4'-C3' 109.919 -3.188 . . . . 57.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DA' . . . . . 0.756 H2'' H5'' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 C5'-C4'-C3' 110.552 -2.765 . . . . 74.599999999999994 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DC' . . . . . 0.756 H5'' H2'' ' C' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.419 -1.323 0 C5'-C4'-O4' 107.731 -1.043 . . . . 79.540000000000006 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DA' . . . . . 0.547 " O5'" H2'' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 N19-C1'-C2' 118.724 2.828 . . . . 79.939999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DT' . . . . . 0.512 H2'' ' H8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.415 -1.581 0 C5'-C4'-C3' 112.92 -1.187 . . . . 76.700000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DG' . . . . . 0.512 ' H8 ' H2'' ' C' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C5'-C4'-C3' 111.972 -1.819 . . . . 74.180000000000007 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ' DA' . . . . . 0.843 " H2'" ' N3 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.546 1.761 1 O4'-C1'-N19 102.035 -7.206 . . . . 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ' DC' . . . . . 0.581 " H2'" HD12 ' A' ' 22' ' ' LEU . . . . . . . . 0 O5'--C5' 1.409 -1.918 0 C5'-C4'-O4' 104.714 -2.929 . . . . 54.329999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' ' DA' . . . . . 0.703 ' OP2' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O5'--C5' 1.417 -1.424 0 N19-C1'-C2' 118.032 2.395 . . . . 42.329999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ' DT' . . . . . 0.636 " H2'" ' O ' ' A' ' 62' ' ' HOH . . . . . . . . 0 O5'--C5' 1.409 -1.914 0 C5'-C4'-O4' 105.127 -2.671 . . . . 46.060000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ' DG' . . . . . 0.56 ' OP2' H2'' ' D' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.416 -1.475 0 C5'-C4'-O4' 105.488 -2.445 . . . . 57.789999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.178 0 N19-C1'-C2' 119.5 3.313 . . . . 68.579999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ' DC' . . . . . 0.604 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.417 -1.457 0 C5'-C4'-O4' 104.982 -2.761 . . . . 74.689999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ' DA' . . . . . 0.604 " H5'" " H1'" ' D' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-C3' 112.119 -1.721 . . . . 70.180000000000007 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 N19-C1'-C2' 118.573 2.733 . . . . 73.620000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ' DG' . . . . . 0.666 " H1'" H5'' ' D' ' 12' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 118.577 2.735 . . . . 78.780000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ' DT' . . . . . 0.666 H5'' " H1'" ' D' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C2'-C3'-O3' 104.074 -2.417 . . . . 79.650000000000006 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . 0.636 ' O ' " H2'" ' D' ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . 0.445 ' O ' ' HG3' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.617 ' OD1' ' N ' ' A' ' 8' ' ' SER . 21.7 t-20 . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 109.027 -0.731 . . . . 61.200000000000003 109.027 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . 0.617 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 68.0 m 67.18 -169.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.991 0.737 . . . . 60.159999999999997 112.991 -179.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t -72.27 133.15 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 119.633 3.198 . . . . 49.950000000000003 119.633 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -173.92 148.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.31 -1.314 . . . . 41.409999999999997 108.62 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.96 132.0 52.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.171 1.174 . . . . 47.82 114.171 -177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.38 -6.64 71.56 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 121.242 -0.504 . . . . 34.869999999999997 113.363 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 8' ' ' SER . 84.8 tttt -56.06 134.23 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 45.399999999999999 107.984 179.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.765 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 8.3 tmtt? -71.49 139.56 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 43.689999999999998 110.747 -179.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.765 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.14 158.85 35.0 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.304 -0.407 . . . . 51.75 110.53 179.2 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -82.63 159.2 22.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.788 -1.56 . . . . 40.990000000000002 106.788 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.61 145.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 32.539999999999999 111.014 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 125.83 25.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 115.419 1.637 . . . . 33.399999999999999 115.419 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.2 tp -119.59 120.4 36.58 Favored 'General case' 0 CA--C 1.516 -0.345 1 N-CA-C 99.558 -4.238 . . . . 28.010000000000002 99.558 175.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -133.26 117.0 16.86 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.339 -0.846 . . . . 35.030000000000001 110.484 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD22 HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -152.07 158.11 42.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 114.975 1.472 . . . . 29.579999999999998 114.975 177.813 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD12 " H2'" ' D' ' 3' ' ' ' DC' . 58.2 mt -89.49 135.4 33.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.671 -1.15 . . . . 29.260000000000002 108.006 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.604 ' CG1' ' HE1' ' A' ' 27' ' ' MET . 33.6 m -135.57 163.98 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.062 -0.718 . . . . 26.870000000000001 109.062 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -66.79 153.84 93.1 Favored Pre-proline 0 CA--C 1.515 -0.391 0 N-CA-C 108.77 -0.826 . . . . 43.729999999999997 108.77 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.13 -50.81 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.377 2.718 . . . . 26.859999999999999 110.371 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -52.89 -44.59 67.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 121.112 -0.235 . . . . 41.210000000000001 110.439 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . 0.604 ' HE1' ' CG1' ' A' ' 23' ' ' VAL . 5.2 ttp -62.78 -47.55 83.01 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.19 -0.604 . . . . 38.399999999999999 112.46 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.97 -30.51 71.63 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.041 -0.663 . . . . 30.550000000000001 111.718 179.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.95 -38.68 72.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.174 -0.611 . . . . 32.07 111.387 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.51 -41.07 98.53 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.15 -0.685 . . . . 45.469999999999999 109.15 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.0 mt -66.16 -36.41 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.309 -0.859 . . . . 26.539999999999999 111.542 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.521 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 38.6 mt -71.45 -43.1 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 116.27 -0.423 . . . . 27.100000000000001 109.885 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 17.7 mttt -60.04 -46.36 89.79 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.768 -1.197 . . . . 45.560000000000002 107.768 178.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.84 -38.2 75.22 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.181 0.515 . . . . 38.990000000000002 111.653 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.62 75.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 27.059999999999999 112.445 -178.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 40.3 mt-30 -70.23 -36.94 74.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.229 -0.441 . . . . 34.32 111.494 -179.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 9.5 pt-20 -84.72 -28.44 26.3 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 116.615 2.08 . . . . 55.960000000000001 116.615 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -119.07 -22.03 7.4 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 115.795 1.776 . . . . 49.869999999999997 115.795 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 49' ' ' GLU . 39.5 m-20 -122.47 24.16 9.38 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 120.324 3.453 . . . . 36.850000000000001 120.324 -176.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 58.92 39.17 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 41.880000000000003 112.238 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 t70 63.93 13.62 7.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.386 1.254 . . . . 34.289999999999999 114.386 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -83.92 99.62 10.49 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 105.054 -2.202 . . . . 28.420000000000002 105.054 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.54 -40.39 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 114.374 1.25 . . . . 24.52 114.374 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' B' ' 21' ' ' LEU . 60.2 p -65.73 -33.37 75.72 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.368 -0.833 . . . . 36.560000000000002 110.078 -178.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 63.9 tp60 -67.14 -41.51 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.507 -1.294 . . . . 45.039999999999999 107.507 177.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.68 81.87 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.207 -0.451 . . . . 25.219999999999999 110.608 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.72 -37.61 93.66 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.99 -0.624 . . . . 21.789999999999999 112.176 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 44' ' ' SER . 51.3 mtt85 -68.15 -46.59 70.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 117.203 0.501 . . . . 39.740000000000002 111.261 -179.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE2' ' OD2' ' A' ' 39' ' ' ASP . 68.6 mt-10 -57.53 -45.6 84.84 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.278 0.361 . . . . 35.310000000000002 110.154 179.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.04 -41.42 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.581 -0.282 . . . . 27.489999999999998 110.244 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.48 -43.19 99.31 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.477 -0.934 . . . . 29.949999999999999 108.477 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 62.4 tttp -60.3 -40.75 91.6 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 122.133 -0.354 . . . . 45.259999999999998 110.131 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -67.7 -33.66 75.34 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.733 -0.469 . . . . 48.310000000000002 109.733 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.16 -36.13 60.4 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 109.931 -1.268 . . . . 39.659999999999997 109.931 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.42 -39.88 85.5 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.867 1.432 . . . . 44.079999999999998 114.867 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -69.38 -16.91 63.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.349 -0.94 . . . . 50.670000000000002 112.189 179.332 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 57' ' ' GLN . 2.5 tt0 -81.22 -14.42 57.52 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.891 -0.781 . . . . 59.219999999999999 108.891 178.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 27.5 mm -86.38 -45.55 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 104.988 -2.227 . . . . 64.909999999999997 104.988 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . . . . . . 0 C--O 1.256 1.418 0 CA-C-N 114.404 -1.271 . . . . 70.409999999999997 108.375 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.535 ' O ' ' HB ' ' B' ' 9' ' ' VAL . 2.0 pt-20 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.924 0.392 . . . . 66.700000000000003 111.093 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -51.09 -61.93 1.93 Allowed 'General case' 0 C--O 1.24 0.577 1 N-CA-C 121.88 4.03 . . . . 57.0 121.88 -176.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.2 p -50.91 -34.44 28.4 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.661 -0.815 . . . . 50.920000000000002 109.88 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' B' ' 6' ' ' GLU . 2.2 t -54.79 -48.16 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 47.039999999999999 111.696 178.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.61 -26.93 64.2 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.731 1.011 . . . . 50.390000000000001 113.731 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -95.71 11.72 32.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.303 0.853 . . . . 41.909999999999997 113.303 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.85 -2.9 60.37 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 119.747 2.659 . . . . 43.469999999999999 119.747 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -66.93 118.83 10.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.557 0.679 . . . . 49.170000000000002 110.656 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.64 129.46 44.03 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 116.046 1.869 . . . . 48.869999999999997 116.046 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' HOH . 4.5 pttt -68.93 130.17 42.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.428 -0.805 . . . . 49.210000000000001 108.962 178.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -74.75 145.87 42.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.957 0.725 . . . . 36.75 112.957 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -111.67 148.76 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 124.05 0.94 . . . . 32.100000000000001 112.719 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.9 t -70.69 131.35 43.75 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 116.75 2.13 . . . . 30.710000000000001 116.75 -178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 45.0 tp -122.27 115.91 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 101.709 -3.441 . . . . 28.190000000000001 101.709 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -123.98 116.18 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.951 -0.113 . . . . 31.98 110.906 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 0.0 OUTLIER -146.36 157.98 43.84 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.77 1.026 . . . . 32.0 113.77 179.263 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.576 HD12 H2'' ' C' ' 3' ' ' ' DC' . 73.5 mt -89.8 138.28 31.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.734 -1.21 . . . . 31.620000000000001 107.734 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.683 ' HB ' ' HE2' ' B' ' 27' ' ' MET . 33.2 m -131.64 153.9 39.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.505 -0.554 . . . . 30.18 109.505 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.549 ' HB3' ' OD1' ' B' ' 26' ' ' ASP . 60.0 m-20 -64.49 140.33 97.96 Favored Pre-proline 0 CA--C 1.516 -0.345 0 N-CA-C 105.1 -2.185 . . . . 43.020000000000003 105.1 178.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.576 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 38.1 Cg_endo -52.01 -33.06 50.97 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.013 2.475 . . . . 30.600000000000001 113.969 -179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' B' ' 24' ' ' ASP . 1.9 p-10 -66.98 -39.49 87.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 41.869999999999997 110.566 179.22 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' MET . . . . . 0.683 ' HE2' ' HB ' ' B' ' 23' ' ' VAL . 53.2 ttp -70.91 -36.52 72.73 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.94 -0.704 . . . . 38.68 111.008 -179.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -65.99 -42.52 89.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.304 -0.959 . . . . 33.759999999999998 109.774 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.3 -32.23 66.45 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.833 -0.803 . . . . 34.329999999999998 108.833 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.38 -32.47 54.93 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 112.239 0.459 . . . . 41.57 112.239 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -72.29 -37.08 57.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 106.045 -1.835 . . . . 27.359999999999999 106.045 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.35 -42.49 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.131 -0.486 . . . . 29.440000000000001 111.311 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 23.7 ttmm -61.59 -37.46 83.95 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.624 -0.88 . . . . 44.710000000000001 108.624 179.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -68.19 -38.36 81.91 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.045 0.45 . . . . 38.039999999999999 110.143 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.99 92.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 26.100000000000001 109.116 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -47.8 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 33.490000000000002 111.157 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -70.5 -32.54 70.07 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 114.205 1.187 . . . . 45.100000000000001 114.205 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -116.33 -34.44 4.63 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 120.217 3.414 . . . . 43.289999999999999 120.217 -176.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.63 32.65 6.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 119.017 2.969 . . . . 33.850000000000001 119.017 -175.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 51.14 43.02 29.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.222 0.534 . . . . 42.920000000000002 111.621 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 65.37 14.48 9.47 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 115.668 1.729 . . . . 27.350000000000001 115.668 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -81.52 91.64 6.38 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.554 -1.647 . . . . 25.539999999999999 106.554 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.3 t -55.02 -42.78 66.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 113.993 1.109 . . . . 24.18 113.993 -178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -57.83 -44.17 86.27 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.608 0.242 . . . . 26.809999999999999 110.99 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 5.6 tt0 -67.82 -35.93 79.49 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 121.072 -0.251 . . . . 43.009999999999998 111.528 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.42 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.76 -1.2 . . . . 28.190000000000001 107.76 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -37.36 92.57 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 121.211 -0.518 . . . . 27.850000000000001 112.973 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.703 ' NH2' ' OP2' ' D' ' 4' ' ' ' DA' . 12.9 mtt180 -66.51 -48.8 68.63 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.315 0.558 . . . . 30.670000000000002 111.078 178.864 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 45' ' ' GLN . 46.8 mt-10 -61.05 -42.76 99.09 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-O 121.137 0.494 . . . . 41.909999999999997 110.239 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.26 -47.63 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.082 -0.508 . . . . 29.32 110.425 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.504 HD12 ' HE3' ' A' ' 27' ' ' MET . 30.4 mt -59.45 -39.38 83.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.485 -0.486 . . . . 28.719999999999999 110.439 179.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -64.32 -39.75 94.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 43.340000000000003 111.803 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -66.11 -39.76 90.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.095 -1.076 . . . . 40.530000000000001 108.095 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . 0.729 ' HA2' ' NE2' ' B' ' 57' ' ' GLN . . . -64.53 -39.62 96.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.301 -0.952 . . . . 39.100000000000001 111.618 -179.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 59.3 mt -68.13 -34.07 75.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.249 . . . . 44.100000000000001 110.742 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.22 -30.37 71.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 56.469999999999999 111.068 179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLN . . . . . 0.729 ' NE2' ' HA2' ' B' ' 54' ' ' GLY . 0.2 OUTLIER -62.15 -76.21 0.06 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 103.647 -2.723 . . . . 66.680000000000007 103.647 176.954 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' B' ' 57' ' ' GLN . 29.4 mm -21.49 -89.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 CA-C-N 114.727 -1.124 . . . . 63.93 113.047 178.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.924 0 CA-C-O 115.341 -2.266 . . . . 66.280000000000001 111.768 -177.439 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.511 H2'' " H5'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.474 0 O5'-C5'-C4' 113.449 2.32 . . . . 61.859999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.576 H2'' HD12 ' B' ' 22' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.182 0 N19-C1'-C2' 118.827 2.892 . . . . 56.490000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.582 " H1'" H5'' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.262 0 C5'-C4'-C3' 111.482 -2.145 . . . . 40.770000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.582 H5'' " H1'" ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.416 -1.494 0 C5'-C4'-O4' 106.771 -1.643 . . . . 48.729999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DG' . . . . . 0.649 H2'' ' C8 ' ' C' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.408 -2.001 0 C5'-C4'-C3' 109.919 -3.188 . . . . 57.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DA' . . . . . 0.756 H2'' H5'' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 C5'-C4'-C3' 110.552 -2.765 . . . . 74.599999999999994 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DC' . . . . . 0.756 H5'' H2'' ' C' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.419 -1.323 0 C5'-C4'-O4' 107.731 -1.043 . . . . 79.540000000000006 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.547 " O5'" H2'' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 N19-C1'-C2' 118.724 2.828 . . . . 79.939999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DT' . . . . . 0.512 H2'' ' H8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.415 -1.581 0 C5'-C4'-C3' 112.92 -1.187 . . . . 76.700000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.512 ' H8 ' H2'' ' C' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C5'-C4'-C3' 111.972 -1.819 . . . . 74.180000000000007 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.843 " H2'" ' N3 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.546 1.761 1 O4'-C1'-N19 102.035 -7.206 . . . . 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ' DC' . . . . . 0.581 " H2'" HD12 ' A' ' 22' ' ' LEU . . . . . . . . 0 O5'--C5' 1.409 -1.918 0 C5'-C4'-O4' 104.714 -2.929 . . . . 54.329999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' ' DA' . . . . . 0.703 ' OP2' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O5'--C5' 1.417 -1.424 0 N19-C1'-C2' 118.032 2.395 . . . . 42.329999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ' DT' . . . . . 0.636 " H2'" ' O ' ' A' ' 62' ' ' HOH . . . . . . . . 0 O5'--C5' 1.409 -1.914 0 C5'-C4'-O4' 105.127 -2.671 . . . . 46.060000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.56 ' OP2' H2'' ' D' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.416 -1.475 0 C5'-C4'-O4' 105.488 -2.445 . . . . 57.789999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.178 0 N19-C1'-C2' 119.5 3.313 . . . . 68.579999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ' DC' . . . . . 0.604 " H1'" " H5'" ' D' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.417 -1.457 0 C5'-C4'-O4' 104.982 -2.761 . . . . 74.689999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ' DA' . . . . . 0.604 " H5'" " H1'" ' D' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-C3' 112.119 -1.721 . . . . 70.180000000000007 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 N19-C1'-C2' 118.573 2.733 . . . . 73.620000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ' DG' . . . . . 0.666 " H1'" H5'' ' D' ' 12' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 118.577 2.735 . . . . 78.780000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ' DT' . . . . . 0.666 H5'' " H1'" ' D' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C2'-C3'-O3' 104.074 -2.417 . . . . 79.650000000000006 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . 0.636 ' O ' " H2'" ' D' ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . 0.445 ' O ' ' HG3' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_