data_4fth_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 4fth _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 ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.733 0.301 . . . . 119.06999999999999 111.251 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -85.84 139.92 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 133.65000000000001 112.034 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -116.05 143.54 45.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.587 -0.523 . . . . 143.46000000000001 109.587 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . . . -60.84 152.37 27.39 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.001 -0.741 . . . . 111.79000000000001 109.001 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.4 m -79.37 133.72 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 157.53999999999999 109.925 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.92 159.78 16.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.024 -1.102 . . . . 140.97 108.024 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' NH2' ' NH1' ' A' ' 45' ' ' ARG . 14.0 ttm180 -74.49 152.46 39.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.941 -1.027 . . . . 123.61 111.697 177.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.5 114.02 25.65 Favored 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 113.624 0.972 . . . . 130.91999999999999 113.624 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 35.4 3.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.527 0.565 . . . . 96.579999999999998 112.527 -174.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.1 m -73.16 -7.26 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 111.73999999999999 111.208 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -89.98 -26.75 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 113.68000000000001 112.134 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.26 -26.27 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.494 -0.321 . . . . 93.329999999999998 110.912 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -82.99 -5.16 58.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 106.16 111.062 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -95.43 -20.14 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 116.68000000000001 111.552 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mt -57.15 134.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.54 -0.3 . . . . 106.72 110.311 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -71.77 -45.95 59.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 118.827 2.899 . . . . 138.02000000000001 118.827 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -91.95 135.66 33.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 129.33000000000001 111.808 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -41.38 96.44 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.981 -0.45 . . . . 96.480000000000004 110.729 -177.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.01 -36.99 78.41 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.821 1.248 . . . . 122.93000000000001 111.177 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -66.12 -42.71 88.83 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 115.596 1.702 . . . . 112.43000000000001 115.596 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.65 -27.82 62.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.739 0.304 . . . . 82.739999999999995 111.119 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 71.560000000000002 110.873 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -71.72 -43.87 65.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 103.64 110.207 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -65.07 -42.6 94.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.435 0.531 . . . . 99.25 112.435 -178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -64.87 -48.99 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.821 -0.352 . . . . 63.460000000000001 110.298 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -57.26 -29.55 63.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 87.060000000000002 110.659 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.61 -52.56 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 81.909999999999997 110.998 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 mm -62.65 -37.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 95.140000000000001 110.961 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.31 -51.45 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 73.540000000000006 111.176 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.38 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 87.269999999999996 111.497 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.57 -48.12 82.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.502 -0.317 . . . . 90.409999999999997 111.525 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -62.5 -35.12 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 96.230000000000004 111.165 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.92 -40.96 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 91.269999999999996 110.458 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' TYR . 94.9 mt -58.09 -51.51 69.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 86.239999999999995 110.344 176.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' NH2' ' A' ' 17' ' ' ARG . 3.6 mtm-85 -56.86 -48.92 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.53 -0.305 . . . . 104.52 111.804 178.833 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -58.29 -25.97 62.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.587 0.588 . . . . 119.15000000000001 112.587 -176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -115.69 25.17 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.279 -1.008 . . . . 108.56999999999999 108.279 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 46.77 42.21 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.649 -0.705 . . . . 141.03999999999999 112.532 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 76.1 m-85 60.55 36.1 19.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 117.607 2.447 . . . . 88.359999999999999 117.607 177.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -90.14 91.07 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.095 -0.706 . . . . 91.980000000000004 109.095 173.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.46 -52.81 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.955 0.724 . . . . 66.640000000000001 112.955 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -52.37 -43.48 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.535 -0.302 . . . . 104.27 111.565 -177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -75.87 -40.18 55.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 107.44 111.97 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.4 m -59.69 -44.42 93.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 79.180000000000007 111.071 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.36 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 76.129999999999995 111.37 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -81.5 -40.91 22.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 108.75 111.49 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.02 -32.23 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 113.03 111.877 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -94.98 -11.24 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.434 0.531 . . . . 77.439999999999998 112.434 -177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 44.05 9.5 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 115.316 0.887 . . . . 68.310000000000002 115.316 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.5 pt -133.14 165.43 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.066 -0.346 . . . . 81.430000000000007 110.066 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.5 138.73 39.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 98.010000000000005 110.069 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.29 -34.01 59.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.417 -0.356 . . . . 85.870000000000005 110.919 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.416 . . . . 80.170000000000002 112.019 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.22 -37.15 84.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.408 -0.814 . . . . 96.400000000000006 112.225 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.64 -42.56 97.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.205 -1.035 . . . . 67.280000000000001 108.205 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -63.5 -43.47 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 95.780000000000001 110.894 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -66.14 -31.81 72.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.231 -0.44 . . . . 98.810000000000002 112.033 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -72.36 -40.84 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 71.030000000000001 110.349 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.43 -40.71 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 63.649999999999999 110.063 176.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.37 -42.62 96.09 Favored 'General case' 0 C--O 1.208 -1.105 0 C-N-CA 124.729 1.212 . . . . 109.65000000000001 113.248 177.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.3 m -73.11 -48.82 32.39 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.89 0.876 . . . . 96.420000000000002 112.456 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -81.77 2.6 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.62 0.6 . . . . 75.349999999999994 112.62 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.43 43.64 31.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.608 0.596 . . . . 110.92 112.608 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.4 mt -81.9 135.61 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.939 -0.573 . . . . 73.209999999999994 110.365 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -108.26 149.26 28.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 109.43000000000001 110.97 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.4 m -115.36 160.24 14.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.274 0.559 . . . . 98.189999999999998 111.828 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -70.41 -47.47 60.63 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.434 1.272 . . . . 121.41 114.434 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 114.143 1.164 . . . . 123.65000000000001 114.143 -176.771 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 N-CA-C 112.057 0.391 . . . . 136.34 112.057 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.95 115.35 29.91 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 122.153 0.978 . . . . 167.55000000000001 108.948 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 mt -116.03 25.56 10.61 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.685 -1.598 . . . . 100.40000000000001 110.516 -172.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -63.75 -20.39 65.72 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.881 1.272 . . . . 128.68000000000001 114.116 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -77.72 -22.72 49.94 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.35 1.06 . . . . 96.260000000000005 111.695 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.34 -32.55 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.516 . . . . 84.709999999999994 110.574 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.85 -13.7 59.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 100.61 111.4 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -89.34 -12.68 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 102.47 111.57 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.44 128.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 86.670000000000002 110.795 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -66.19 -45.4 80.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.998 1.11 . . . . 137.52000000000001 113.998 -176.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.64 139.73 34.87 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.319 0.859 . . . . 125.08 113.319 -175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.6 -37.53 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.435 -0.802 . . . . 78.079999999999998 112.801 -176.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -65.93 -22.71 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 100.34 111.955 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.76 -47.81 13.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.997 0.427 . . . . 110.05 110.191 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.73 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 86.150000000000006 111.75 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -68.03 -32.4 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.888 -0.597 . . . . 86.019999999999996 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -86.49 -26.24 24.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.271 0.471 . . . . 87.980000000000004 112.271 -178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -76.12 -46.29 29.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.902 -0.319 . . . . 93.719999999999999 110.58 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -60.23 -49.63 76.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 86.739999999999995 110.518 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.14 -30.83 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 92.379999999999995 110.753 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -73.36 -51.98 15.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 100.97 111.065 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 mm -64.36 -36.36 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 90.140000000000001 111.03 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.5 -52.73 62.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 98.430000000000007 111.031 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -61.99 -41.0 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 102.75 111.348 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -57.0 -50.08 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.325 . . . . 109.51000000000001 111.629 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -60.63 -35.74 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 125.83 111.196 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 120.8 110.297 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' B' ' 49' ' ' TYR . 73.7 mt -57.86 -35.22 70.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 105.79000000000001 110.623 177.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.03 -45.17 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 140.49000000000001 111.785 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -64.04 -18.74 64.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 145.81999999999999 111.729 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -118.49 25.49 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 151.09 111.445 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 47.97 35.62 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.009 0.744 . . . . 168.71000000000001 113.009 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' B' ' 44' ' ' LEU . 88.1 m-85 63.26 34.21 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.065 0.765 . . . . 112.13 113.065 175.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -89.48 88.01 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.176 -0.675 . . . . 123.31 109.176 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -48.45 -52.19 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.813 0.672 . . . . 92.239999999999995 112.813 -173.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -47.59 -42.48 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.691 0.626 . . . . 125.97 112.691 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -85.51 -27.61 25.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.213 0.449 . . . . 148.69999999999999 112.213 -174.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 46.7 m -67.03 -53.79 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.711 0.291 . . . . 109.34 110.783 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.02 -10.81 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 88.269999999999996 111.069 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -94.7 -39.85 10.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 128.46000000000001 110.861 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -73.41 -22.64 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 137.30000000000001 112.037 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.0 pt -102.59 -10.95 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.39 0.515 . . . . 84.430000000000007 112.39 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.7 7.17 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 115.888 1.115 . . . . 81.25 115.888 172.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.26 176.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 98.209999999999994 110.33 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -88.39 136.83 32.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.092 -0.707 . . . . 116.78 109.092 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.2 tp -54.79 -37.33 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.397 -0.365 . . . . 114.22 110.383 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.0 p -61.59 -32.75 72.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 117.97 110.186 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.84 -23.42 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 94.010000000000005 111.9 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.51 -46.49 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 101.48999999999999 110.449 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -59.75 -43.0 94.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 112.59999999999999 110.125 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -59.86 -41.88 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 103.61 112.051 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -68.39 -30.61 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 102.36 110.92 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.96 -36.93 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 85.409999999999997 111.052 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.36 -33.71 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 113.7 111.048 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.8 m -78.24 -48.95 14.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 108.87 111.907 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -88.11 0.45 55.99 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.577 0.584 . . . . 97.709999999999994 112.577 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.8 m120 55.75 69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.497 0.554 . . . . 88.75 112.497 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.6 mt -104.83 131.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.962 0.411 . . . . 120.19 110.225 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 115.52 28.17 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.282 0.563 . . . . 129.34999999999999 112.476 -177.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' VAL . . . . . 0.762 ' CG2' ' O ' ' B' ' 76' ' ' VAL . 1.4 m -86.27 73.6 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 121.603 0.716 . . . . 183.03 109.369 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.586 0 CA-C-N 114.369 -1.287 . . . . 115.84 110.197 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.452 0 C4'-C3'-C2' 105.769 2.569 . . . . 123.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DT' . . . . . 0.533 ' N3 ' ' N1 ' ' D' ' 21' ' ' ' DA' . . . . . . . . 0 P--O5' 1.601 0.849 0 P-O5'-C5' 117.943 -1.848 . . . . 125.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.432 0 P-O5'-C5' 119.852 -0.655 . . . . 137.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 101.935 -1.265 . . . . 154.90000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.414 -1.284 0 O4'-C1'-N19 110.891 3.864 . . . . 173.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.055 0 P-O5'-C5' 119.327 -0.983 . . . . 160.24000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.414 -1.298 0 C3'-C2'-C1' 99.0 -2.643 . . . . 158.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.42 0 O4'-C1'-N19 110.236 3.045 . . . . 137.86000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.402 ' N3 ' ' N1 ' ' D' ' 14' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.531 1.341 0 C1'-O4'-C4' 105.443 -3.04 . . . . 114.34 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.155 0 P-O5'-C5' 119.234 -1.041 . . . . 99.280000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.246 0 C3'-C2'-C1' 104.506 1.29 . . . . 101.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.415 -1.229 0 C3'-C2'-C1' 100.502 -1.57 . . . . 117.54000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.441 0 O4'-C1'-N19 109.903 2.628 . . . . 121.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.519 0.948 0 O4'-C1'-N19 109.304 1.88 . . . . 134.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.408 -1.782 0 O4'-C4'-C3' 107.863 2.263 . . . . 143.19999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.415 -1.265 0 P-O5'-C5' 117.859 -1.901 . . . . 148.58000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.421 ' N3 ' ' N1 ' ' D' ' 6' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.53 1.175 0 O4'-C1'-N19 109.504 2.13 . . . . 132.38999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.414 ' C6 ' ' N4 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.532 1.393 0 C1'-O4'-C4' 106.826 -2.053 . . . . 146.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.414 ' N4 ' ' C6 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 C3'-C2'-C1' 98.189 -3.222 . . . . 150.59999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.181 0 O4'-C1'-N19 109.726 2.407 . . . . 139.43000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.521 1.301 0 O4'-C1'-N19 110.437 3.296 . . . . 146.99000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.438 0 C4'-C3'-C2' 106.294 3.094 . . . . 196.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.215 0 C3'-C2'-C1' 104.99 1.636 . . . . 160.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 O4'-C4'-C3' 103.423 -2.177 . . . . 169.71000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.176 0 C4'-C3'-C2' 105.803 2.603 . . . . 149.63 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.289 0 O4'-C1'-N19 109.01 1.513 . . . . 131.25999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ' DA' . . . . . 0.421 ' N1 ' ' N3 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.414 -1.342 1 C3'-C2'-C1' 96.688 -4.294 . . . . 124.61 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.529 1.114 0 O4'-C1'-N19 110.246 3.057 . . . . 101.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.183 0 C4'-C3'-C2' 104.463 1.263 . . . . 94.900000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.415 -1.237 0 C4'-C3'-C2' 99.6 -3.6 . . . . 108.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-N19 109.484 2.105 . . . . 120.93000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O5'-C5'-C4' 111.947 1.248 . . . . 134.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.193 0 C3'-C2'-C1' 100.418 -1.63 . . . . 135.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.157 0 P-O5'-C5' 119.31 -0.994 . . . . 139.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ' DA' . . . . . 0.402 ' N1 ' ' N3 ' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 108.891 1.364 . . . . 132.81 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.322 0 C4'-C3'-C2' 105.019 1.819 . . . . 107.68000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.123 0 C4'-C3'-C2' 104.63 1.43 . . . . 112.51000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.173 0 O4'-C4'-C3' 103.462 -2.138 . . . . 120.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C4'-C3'-C2' 104.759 1.559 . . . . 116.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.201 0 O4'-C1'-N19 109.779 2.474 . . . . 141.83000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.529 1.06 0 O4'-C1'-N19 109.447 2.058 . . . . 159.66 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ' DA' . . . . . 0.533 ' N1 ' ' N3 ' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.173 0 C3'-C2'-C1' 104.755 1.468 . . . . 174.86000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.733 0.301 . . . . 119.07 111.251 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -85.84 139.92 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 133.65 112.034 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -116.05 143.54 45.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.587 -0.523 . . . . 143.46 109.587 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . . . -60.84 152.37 27.39 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.001 -0.741 . . . . 111.79 109.001 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.4 m -79.37 133.72 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 157.54 109.925 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.92 159.78 16.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.024 -1.102 . . . . 140.97 108.024 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.606 ' NH2' HH11 ' A' ' 45' ' ' ARG . 14.0 ttm180 -74.49 152.46 39.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.941 -1.027 . . . . 123.61 111.697 177.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.5 114.02 25.65 Favored 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 113.624 0.972 . . . . 130.92 113.624 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -108.26 35.4 3.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.527 0.565 . . . . 96.58 112.527 -174.699 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.1 m -73.16 -7.26 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 111.74 111.208 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 27.1 p90 -89.98 -26.75 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 113.68 112.134 -178.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' A' ' 19' ' ' LEU . 39.9 mt -60.26 -26.27 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.494 -0.321 . . . . 93.33 110.912 177.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' HG3' ' B' ' 42' ' ' GLU . 24.8 mt -82.99 -5.16 58.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 106.16 111.062 177.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 21' ' ' TYR . 28.6 mtpt -95.43 -20.14 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 116.68 111.552 179.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.415 HG21 ' HB3' ' A' ' 30' ' ' GLU . 22.5 mt -57.15 134.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.54 -0.3 . . . . 106.72 110.311 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -71.77 -45.95 59.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 118.827 2.899 . . . . 138.02 118.827 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 5.2 mm-40 -91.95 135.66 33.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 129.33 111.808 -178.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -64.51 -41.38 96.44 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.981 -0.45 . . . . 96.48 110.729 -177.551 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.01 -36.99 78.41 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.821 1.248 . . . . 122.93 111.177 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB3' HG21 ' A' ' 25' ' ' ILE . 7.3 tt0 -66.12 -42.71 88.83 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 115.596 1.702 . . . . 112.43 115.596 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB1' ' HZ ' ' B' ' 35' ' ' PHE . . . -72.65 -27.82 62.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.739 0.304 . . . . 82.74 111.119 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 55.9 mtpt -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 71.56 110.873 -179.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -71.72 -43.87 65.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 103.64 110.207 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 38' ' ' ILE . 48.1 mm-40 -65.07 -42.6 94.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.435 0.531 . . . . 99.25 112.435 -178.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HZ ' ' HB1' ' B' ' 31' ' ' ALA . 61.2 t80 -64.87 -48.99 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.821 -0.352 . . . . 63.46 110.298 176.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -57.26 -29.55 63.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 87.06 110.659 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.61 -52.56 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 81.91 110.998 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 34' ' ' GLU . 27.9 mm -62.65 -37.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 95.14 110.961 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 73.6 t80 -63.31 -51.45 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 73.54 111.176 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.38 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 87.27 111.497 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.57 -48.12 82.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.502 -0.317 . . . . 90.41 111.525 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -62.5 -35.12 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 96.23 111.165 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE3' ' CZ ' ' A' ' 39' ' ' PHE . 74.8 mmtt -66.92 -40.96 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 91.27 110.458 177.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.09 -51.51 69.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 86.24 110.344 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.606 HH11 ' NH2' ' A' ' 17' ' ' ARG . 3.6 mtm-85 -56.86 -48.92 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.53 -0.305 . . . . 104.52 111.804 178.833 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -58.29 -25.97 62.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.587 0.588 . . . . 119.15 112.587 -176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -115.69 25.17 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.279 -1.008 . . . . 108.57 108.279 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 46.77 42.21 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.649 -0.705 . . . . 141.04 112.532 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 60.55 36.1 19.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 117.607 2.447 . . . . 88.36 117.607 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -90.14 91.07 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.095 -0.706 . . . . 91.98 109.095 173.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.46 -52.81 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.955 0.724 . . . . 66.64 112.955 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.5 tttm -52.37 -43.48 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.535 -0.302 . . . . 104.27 111.565 -177.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 70.6 ttt180 -75.87 -40.18 55.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 107.44 111.97 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.4 m -59.69 -44.42 93.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 79.18 111.071 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.36 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 76.13 111.37 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 93.4 mt-10 -81.5 -40.91 22.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 108.75 111.49 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 15.5 mm-40 -67.02 -32.23 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 113.03 111.877 -177.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -94.98 -11.24 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.434 0.531 . . . . 77.44 112.434 -177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 44.05 9.5 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 115.316 0.887 . . . . 68.31 115.316 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.5 pt -133.14 165.43 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.066 -0.346 . . . . 81.43 110.066 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.5 138.73 39.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 98.01 110.069 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.29 -34.01 59.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.417 -0.356 . . . . 85.87 110.919 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.416 . . . . 80.17 112.019 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.22 -37.15 84.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.408 -0.814 . . . . 96.4 112.225 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 69' ' ' ILE . 39.7 tp -60.64 -42.56 97.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.205 -1.035 . . . . 67.28 108.205 -179.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE1' H5'' ' D' ' 7' ' ' ' DT' . 31.7 m-85 -63.5 -43.47 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 95.78 110.894 176.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . 0.517 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.3 mtm-85 -66.14 -31.81 72.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.231 -0.44 . . . . 98.81 112.033 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -72.36 -40.84 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 71.03 110.349 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 65' ' ' LEU . 71.4 mt -60.43 -40.71 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 63.65 110.063 176.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -64.37 -42.62 96.09 Favored 'General case' 0 C--O 1.208 -1.105 0 C-N-CA 124.729 1.212 . . . . 109.65 113.248 177.067 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.3 m -73.11 -48.82 32.39 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.89 0.876 . . . . 96.42 112.456 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -81.77 2.6 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.62 0.6 . . . . 75.35 112.62 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.43 43.64 31.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.608 0.596 . . . . 110.92 112.608 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.4 mt -81.9 135.61 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.939 -0.573 . . . . 73.21 110.365 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -108.26 149.26 28.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 109.43 110.97 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.4 m -115.36 160.24 14.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.274 0.559 . . . . 98.19 111.828 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -70.41 -47.47 60.63 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.434 1.272 . . . . 121.41 114.434 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 114.143 1.164 . . . . 123.65 114.143 -176.771 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 N-CA-C 112.057 0.391 . . . . 136.34 112.057 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.95 115.35 29.91 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 122.153 0.978 . . . . 167.55 108.948 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 mt -116.03 25.56 10.61 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.685 -1.598 . . . . 100.4 110.516 -172.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -63.75 -20.39 65.72 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.881 1.272 . . . . 128.68 114.116 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TYR . . . . . 0.526 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 22.7 p90 -77.72 -22.72 49.94 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.35 1.06 . . . . 96.26 111.695 -174.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.34 -32.55 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.516 . . . . 84.71 110.574 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.85 -13.7 59.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 100.61 111.4 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' B' ' 21' ' ' TYR . 35.1 mtpt -89.34 -12.68 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 102.47 111.57 -178.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.44 128.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 86.67 110.795 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -66.19 -45.4 80.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.998 1.11 . . . . 137.52 113.998 -176.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.64 139.73 34.87 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.319 0.859 . . . . 125.08 113.319 -175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 39' ' ' PHE . 41.9 tp -65.6 -37.53 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.435 -0.802 . . . . 78.08 112.801 -176.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -65.93 -22.71 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 100.34 111.955 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.76 -47.81 13.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.997 0.427 . . . . 110.05 110.191 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . 0.495 ' HB1' ' HZ ' ' A' ' 35' ' ' PHE . . . -59.55 -36.73 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 86.15 111.75 -178.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -68.03 -32.4 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.888 -0.597 . . . . 86.02 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -86.49 -26.24 24.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.271 0.471 . . . . 87.98 112.271 -178.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . 0.522 ' O ' HG12 ' B' ' 38' ' ' ILE . 43.3 mm-40 -76.12 -46.29 29.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.902 -0.319 . . . . 93.72 110.58 176.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PHE . . . . . 0.48 ' HZ ' ' HB1' ' A' ' 31' ' ' ALA . 56.4 t80 -60.23 -49.63 76.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 86.74 110.518 177.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.14 -30.83 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 92.38 110.753 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -73.36 -51.98 15.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 100.97 111.065 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . 0.522 HG12 ' O ' ' B' ' 34' ' ' GLU . 27.5 mm -64.36 -36.36 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 90.14 111.03 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.5 -52.73 62.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 98.43 111.031 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 66.2 mt -61.99 -41.0 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 102.75 111.348 179.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLU . . . . . 0.501 ' HG2' HG23 ' B' ' 74' ' ' ILE . 94.6 mt-10 -57.0 -50.08 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.325 . . . . 109.51 111.629 178.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . 0.499 ' HG3' HD13 ' A' ' 23' ' ' LEU . 55.9 mm-40 -60.63 -35.74 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 125.83 111.196 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 120.8 110.297 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 40' ' ' ILE . 73.7 mt -57.86 -35.22 70.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 105.79 110.623 177.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . 0.428 HH11 ' HB3' ' B' ' 41' ' ' GLU . 13.7 mtm180 -73.03 -45.17 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 140.49 111.785 179.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -64.04 -18.74 64.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 145.82 111.729 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -118.49 25.49 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 151.09 111.445 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 47.97 35.62 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.009 0.744 . . . . 168.71 113.009 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 63.26 34.21 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.065 0.765 . . . . 112.13 113.065 175.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -89.48 88.01 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.176 -0.675 . . . . 123.31 109.176 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -48.45 -52.19 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.813 0.672 . . . . 92.24 112.813 -173.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . 0.425 ' HA ' HD13 ' B' ' 62' ' ' LEU . 17.4 tttm -47.59 -42.48 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.691 0.626 . . . . 125.97 112.691 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -85.51 -27.61 25.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.213 0.449 . . . . 148.7 112.213 -174.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . 0.443 ' O ' HG12 ' B' ' 58' ' ' ILE . 46.7 m -67.03 -53.79 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.711 0.291 . . . . 109.34 110.783 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . 0.551 ' HB2' HD22 ' B' ' 65' ' ' LEU . . . -60.02 -10.81 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 88.27 111.069 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -94.7 -39.85 10.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 128.46 110.861 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -73.41 -22.64 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 137.3 112.037 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . 0.443 HG12 ' O ' ' B' ' 54' ' ' THR . 16.0 pt -102.59 -10.95 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.39 0.515 . . . . 84.43 112.39 -179.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.7 7.17 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 115.888 1.115 . . . . 81.25 115.888 172.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.26 176.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 98.21 110.33 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . 0.475 ' HB3' HD22 ' B' ' 64' ' ' ASN . 4.2 t70 -88.39 136.83 32.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.092 -0.707 . . . . 116.78 109.092 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 52' ' ' LYS . 23.2 tp -54.79 -37.33 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.397 -0.365 . . . . 114.22 110.383 179.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.0 p -61.59 -32.75 72.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 117.97 110.186 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASN . . . . . 0.475 HD22 ' HB3' ' B' ' 61' ' ' ASP . 45.5 m-80 -80.84 -23.42 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 94.01 111.9 177.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' B' ' 55' ' ' ALA . 42.0 tp -67.51 -46.49 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 101.49 110.449 175.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' TYR . . . . . 0.504 ' CE1' " H5'" ' C' ' 1' ' ' ' DC' . 62.8 m-85 -59.75 -43.0 94.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 112.6 110.125 176.758 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -59.86 -41.88 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 103.61 112.051 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 64' ' ' ASN . 64.6 mttm -68.39 -30.61 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 102.36 110.92 178.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 65' ' ' LEU . 66.6 mt -69.96 -36.93 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 85.41 111.052 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.36 -33.71 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 113.7 111.048 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.8 m -78.24 -48.95 14.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 108.87 111.907 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -88.11 0.45 55.99 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.577 0.584 . . . . 97.71 112.577 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 55.75 69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.497 0.554 . . . . 88.75 112.497 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ILE . . . . . 0.501 HG23 ' HG2' ' B' ' 41' ' ' GLU . 39.6 mt -104.83 131.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.962 0.411 . . . . 120.19 110.225 178.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ARG . . . . . 0.607 ' HD3' ' HE3' ' B' ' 77' ' ' LYS . 0.0 OUTLIER -92.56 115.52 28.17 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.282 0.563 . . . . 129.35 112.476 -177.903 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 76' ' ' VAL . . . . . 0.975 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 m -86.27 73.6 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 121.603 0.716 . . . . 183.03 109.369 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . 0.607 ' HE3' ' HD3' ' B' ' 75' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.586 0 CA-C-N 114.369 -1.287 . . . . 115.84 110.197 178.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DC' . . . . . 0.504 " H5'" ' CE1' ' B' ' 66' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.452 0 C4'-C3'-C2' 105.769 2.569 . . . . 123.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DT' . . . . . 0.442 ' N3 ' ' N1 ' ' D' ' 21' ' ' ' DA' . . . . . . . . 0 P--O5' 1.601 0.849 0 P-O5'-C5' 117.943 -1.848 . . . . 125.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.432 0 P-O5'-C5' 119.852 -0.655 . . . . 137.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DG' . . . . . 0.595 H2'' " O5'" ' C' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 101.935 -1.265 . . . . 154.9 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DC' . . . . . 0.595 " O5'" H2'' ' C' ' 4' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.414 -1.284 0 O4'-C1'-N19 110.891 3.864 . . . . 173.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.055 0 P-O5'-C5' 119.327 -0.983 . . . . 160.24 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DA' . . . . . 0.452 H2'' ' H8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.414 -1.298 0 C3'-C2'-C1' 99.0 -2.643 . . . . 158.75 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DA' . . . . . 0.452 ' H8 ' H2'' ' C' ' 7' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.413 -1.42 0 O4'-C1'-N19 110.236 3.045 . . . . 137.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.341 0 C1'-O4'-C4' 105.443 -3.04 . . . . 114.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.155 0 P-O5'-C5' 119.234 -1.041 . . . . 99.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DT' . . . . . 0.442 " H2'" ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.53 1.246 0 C3'-C2'-C1' 104.506 1.29 . . . . 101.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ' DG' . . . . . 0.442 ' C8 ' " H2'" ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.415 -1.229 0 C3'-C2'-C1' 100.502 -1.57 . . . . 117.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.441 0 O4'-C1'-N19 109.903 2.628 . . . . 121.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.519 0.948 0 O4'-C1'-N19 109.304 1.88 . . . . 134.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ' DA' . . . . . 0.427 H2'' " O5'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.408 -1.782 0 O4'-C4'-C3' 107.863 2.263 . . . . 143.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ' DA' . . . . . 0.435 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.415 -1.265 0 P-O5'-C5' 117.859 -1.901 . . . . 148.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ' DT' . . . . . 0.684 " H2'" ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.53 1.175 0 O4'-C1'-N19 109.504 2.13 . . . . 132.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ' DG' . . . . . 0.684 ' C8 ' " H2'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.393 0 C1'-O4'-C4' 106.826 -2.053 . . . . 146.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ' DC' . . . . . 0.575 " H5'" H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 C3'-C2'-C1' 98.189 -3.222 . . . . 150.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.181 0 O4'-C1'-N19 109.726 2.407 . . . . 139.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ' DT' . . . . . 0.72 ' H3 ' ' H2 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.521 1.301 0 O4'-C1'-N19 110.437 3.296 . . . . 146.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ' DG' . . . . . 0.8 " H2'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.417 -1.438 0 C4'-C3'-C2' 106.294 3.094 . . . . 196.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ' DA' . . . . . 0.8 ' C8 ' " H2'" ' D' ' 1' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.53 1.215 0 C3'-C2'-C1' 104.99 1.636 . . . . 160.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ' DT' . . . . . 0.674 " H2'" ' C8 ' ' D' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 O4'-C4'-C3' 103.423 -2.177 . . . . 169.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' ' DG' . . . . . 0.674 ' C8 ' " H2'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.176 0 C4'-C3'-C2' 105.803 2.603 . . . . 149.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ' DC' . . . . . 0.73 " H2'" ' C8 ' ' D' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.419 -1.289 0 O4'-C1'-N19 109.01 1.513 . . . . 131.26 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ' DA' . . . . . 0.73 ' C8 ' " H2'" ' D' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.414 -1.342 1 C3'-C2'-C1' 96.688 -4.294 . . . . 124.61 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ' DT' . . . . . 0.528 H5'' ' CE1' ' A' ' 66' ' ' TYR . . . . . . . . 0 C3'--C2' 1.529 1.114 0 O4'-C1'-N19 110.246 3.057 . . . . 101.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ' DT' . . . . . 0.738 H2'' " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.183 0 C4'-C3'-C2' 104.463 1.263 . . . . 94.9 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ' DT' . . . . . 0.738 " H5'" H2'' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.415 -1.237 0 C4'-C3'-C2' 99.6 -3.6 . . . . 108.64 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ' DG' . . . . . 0.901 H2'' H5'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-N19 109.484 2.105 . . . . 120.93 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ' DC' . . . . . 0.901 H5'' H2'' ' D' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O5'-C5'-C4' 111.947 1.248 . . . . 134.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ' DA' . . . . . 0.502 ' C8 ' H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.193 0 C3'-C2'-C1' 100.418 -1.63 . . . . 135.09 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.157 0 P-O5'-C5' 119.31 -0.994 . . . . 139.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 108.891 1.364 . . . . 132.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.322 0 C4'-C3'-C2' 105.019 1.819 . . . . 107.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.123 0 C4'-C3'-C2' 104.63 1.43 . . . . 112.51 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ' DT' . . . . . 0.638 " H2'" ' C8 ' ' D' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.173 0 O4'-C4'-C3' 103.462 -2.138 . . . . 120.75 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ' DG' . . . . . 0.638 ' C8 ' " H2'" ' D' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C4'-C3'-C2' 104.759 1.559 . . . . 116.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ' DC' . . . . . 0.412 H2'' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.201 0 O4'-C1'-N19 109.779 2.474 . . . . 141.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ' DA' . . . . . 0.412 ' C8 ' H2'' ' D' ' 19' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.529 1.06 0 O4'-C1'-N19 109.447 2.058 . . . . 159.66 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ' DA' . . . . . 0.442 ' N1 ' ' N3 ' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.173 0 C3'-C2'-C1' 104.755 1.468 . . . . 174.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.733 0.301 . . . . 119.06999999999999 111.251 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -85.84 139.92 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 133.65000000000001 112.034 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -116.05 143.54 45.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.587 -0.523 . . . . 143.46000000000001 109.587 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . . . -60.84 152.37 27.39 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.001 -0.741 . . . . 111.79000000000001 109.001 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.4 m -79.37 133.72 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 157.53999999999999 109.925 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -108.92 159.78 16.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.024 -1.102 . . . . 140.97 108.024 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.606 ' NH2' HH11 ' A' ' 45' ' ' ARG . 14.0 ttm180 -74.49 152.46 39.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.941 -1.027 . . . . 123.61 111.697 177.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.5 114.02 25.65 Favored 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 113.624 0.972 . . . . 130.91999999999999 113.624 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -108.26 35.4 3.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.527 0.565 . . . . 96.579999999999998 112.527 -174.699 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.1 m -73.16 -7.26 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 111.73999999999999 111.208 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 27.1 p90 -89.98 -26.75 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 113.68000000000001 112.134 -178.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' A' ' 19' ' ' LEU . 39.9 mt -60.26 -26.27 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.494 -0.321 . . . . 93.329999999999998 110.912 177.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' HG3' ' B' ' 42' ' ' GLU . 24.8 mt -82.99 -5.16 58.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 106.16 111.062 177.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 21' ' ' TYR . 28.6 mtpt -95.43 -20.14 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 116.68000000000001 111.552 179.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 HG21 ' HB3' ' A' ' 30' ' ' GLU . 22.5 mt -57.15 134.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.54 -0.3 . . . . 106.72 110.311 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -71.77 -45.95 59.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 118.827 2.899 . . . . 138.02000000000001 118.827 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 5.2 mm-40 -91.95 135.66 33.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 129.33000000000001 111.808 -178.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -64.51 -41.38 96.44 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.981 -0.45 . . . . 96.480000000000004 110.729 -177.551 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.01 -36.99 78.41 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.821 1.248 . . . . 122.93000000000001 111.177 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB3' HG21 ' A' ' 25' ' ' ILE . 7.3 tt0 -66.12 -42.71 88.83 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 115.596 1.702 . . . . 112.43000000000001 115.596 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB1' ' HZ ' ' B' ' 35' ' ' PHE . . . -72.65 -27.82 62.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.739 0.304 . . . . 82.739999999999995 111.119 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 55.9 mtpt -68.11 -35.84 78.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 71.560000000000002 110.873 -179.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -71.72 -43.87 65.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 103.64 110.207 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 38' ' ' ILE . 48.1 mm-40 -65.07 -42.6 94.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.435 0.531 . . . . 99.25 112.435 -178.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HZ ' ' HB1' ' B' ' 31' ' ' ALA . 61.2 t80 -64.87 -48.99 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.821 -0.352 . . . . 63.460000000000001 110.298 176.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -57.26 -29.55 63.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 87.060000000000002 110.659 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.61 -52.56 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 81.909999999999997 110.998 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 34' ' ' GLU . 27.9 mm -62.65 -37.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 95.140000000000001 110.961 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 73.6 t80 -63.31 -51.45 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 73.540000000000006 111.176 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.38 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 87.269999999999996 111.497 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.57 -48.12 82.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.502 -0.317 . . . . 90.409999999999997 111.525 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -62.5 -35.12 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 96.230000000000004 111.165 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE3' ' CZ ' ' A' ' 39' ' ' PHE . 74.8 mmtt -66.92 -40.96 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 91.269999999999996 110.458 177.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.09 -51.51 69.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 86.239999999999995 110.344 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.606 HH11 ' NH2' ' A' ' 17' ' ' ARG . 3.6 mtm-85 -56.86 -48.92 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.53 -0.305 . . . . 104.52 111.804 178.833 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -58.29 -25.97 62.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.587 0.588 . . . . 119.15000000000001 112.587 -176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -115.69 25.17 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.279 -1.008 . . . . 108.56999999999999 108.279 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 46.77 42.21 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.649 -0.705 . . . . 141.03999999999999 112.532 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 60.55 36.1 19.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 117.607 2.447 . . . . 88.359999999999999 117.607 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -90.14 91.07 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.095 -0.706 . . . . 91.980000000000004 109.095 173.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.46 -52.81 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.955 0.724 . . . . 66.640000000000001 112.955 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.5 tttm -52.37 -43.48 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.535 -0.302 . . . . 104.27 111.565 -177.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 70.6 ttt180 -75.87 -40.18 55.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 107.44 111.97 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.4 m -59.69 -44.42 93.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 79.180000000000007 111.071 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.36 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 76.129999999999995 111.37 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 93.4 mt-10 -81.5 -40.91 22.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 108.75 111.49 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 15.5 mm-40 -67.02 -32.23 73.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 113.03 111.877 -177.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -94.98 -11.24 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.434 0.531 . . . . 77.439999999999998 112.434 -177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 44.05 9.5 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 115.316 0.887 . . . . 68.310000000000002 115.316 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.5 pt -133.14 165.43 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.066 -0.346 . . . . 81.430000000000007 110.066 174.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -77.5 138.73 39.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 98.010000000000005 110.069 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.29 -34.01 59.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.417 -0.356 . . . . 85.870000000000005 110.919 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.416 . . . . 80.170000000000002 112.019 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.22 -37.15 84.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.408 -0.814 . . . . 96.400000000000006 112.225 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 69' ' ' ILE . 39.7 tp -60.64 -42.56 97.18 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.205 -1.035 . . . . 67.280000000000001 108.205 -179.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE1' H5'' ' D' ' 7' ' ' ' DT' . 31.7 m-85 -63.5 -43.47 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 95.780000000000001 110.894 176.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.517 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.3 mtm-85 -66.14 -31.81 72.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.231 -0.44 . . . . 98.810000000000002 112.033 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -72.36 -40.84 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 71.030000000000001 110.349 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 65' ' ' LEU . 71.4 mt -60.43 -40.71 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 63.649999999999999 110.063 176.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -64.37 -42.62 96.09 Favored 'General case' 0 C--O 1.208 -1.105 0 C-N-CA 124.729 1.212 . . . . 109.65000000000001 113.248 177.067 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.3 m -73.11 -48.82 32.39 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.89 0.876 . . . . 96.420000000000002 112.456 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -81.77 2.6 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.62 0.6 . . . . 75.349999999999994 112.62 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.43 43.64 31.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.608 0.596 . . . . 110.92 112.608 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.4 mt -81.9 135.61 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.939 -0.573 . . . . 73.209999999999994 110.365 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -108.26 149.26 28.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 109.43000000000001 110.97 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.4 m -115.36 160.24 14.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.274 0.559 . . . . 98.189999999999998 111.828 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -70.41 -47.47 60.63 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.434 1.272 . . . . 121.41 114.434 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 114.143 1.164 . . . . 123.65000000000001 114.143 -176.771 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 N-CA-C 112.057 0.391 . . . . 136.34 112.057 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.95 115.35 29.91 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 122.153 0.978 . . . . 167.55000000000001 108.948 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 mt -116.03 25.56 10.61 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.685 -1.598 . . . . 100.40000000000001 110.516 -172.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -63.75 -20.39 65.72 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.881 1.272 . . . . 128.68000000000001 114.116 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.526 ' HA ' ' HD3' ' B' ' 24' ' ' LYS . 22.7 p90 -77.72 -22.72 49.94 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 124.35 1.06 . . . . 96.260000000000005 111.695 -174.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.34 -32.55 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.516 . . . . 84.709999999999994 110.574 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.85 -13.7 59.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 100.61 111.4 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' B' ' 21' ' ' TYR . 35.1 mtpt -89.34 -12.68 39.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 102.47 111.57 -178.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.44 128.06 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 86.670000000000002 110.795 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -66.19 -45.4 80.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.998 1.11 . . . . 137.52000000000001 113.998 -176.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.64 139.73 34.87 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.319 0.859 . . . . 125.08 113.319 -175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 39' ' ' PHE . 41.9 tp -65.6 -37.53 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.435 -0.802 . . . . 78.079999999999998 112.801 -176.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -65.93 -22.71 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 100.34 111.955 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.76 -47.81 13.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.997 0.427 . . . . 110.05 110.191 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.495 ' HB1' ' HZ ' ' A' ' 35' ' ' PHE . . . -59.55 -36.73 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 86.150000000000006 111.75 -178.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -68.03 -32.4 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.888 -0.597 . . . . 86.019999999999996 111.08 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -86.49 -26.24 24.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.271 0.471 . . . . 87.980000000000004 112.271 -178.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.522 ' O ' HG12 ' B' ' 38' ' ' ILE . 43.3 mm-40 -76.12 -46.29 29.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.902 -0.319 . . . . 93.719999999999999 110.58 176.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.48 ' HZ ' ' HB1' ' A' ' 31' ' ' ALA . 56.4 t80 -60.23 -49.63 76.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 86.739999999999995 110.518 177.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.14 -30.83 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 92.379999999999995 110.753 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -73.36 -51.98 15.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 100.97 111.065 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.522 HG12 ' O ' ' B' ' 34' ' ' GLU . 27.5 mm -64.36 -36.36 76.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 90.140000000000001 111.03 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.5 -52.73 62.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 98.430000000000007 111.031 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 44' ' ' LEU . 66.2 mt -61.99 -41.0 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 102.75 111.348 179.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.501 ' HG2' HG23 ' B' ' 74' ' ' ILE . 94.6 mt-10 -57.0 -50.08 73.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.486 -0.325 . . . . 109.51000000000001 111.629 178.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.499 ' HG3' HD13 ' A' ' 23' ' ' LEU . 55.9 mm-40 -60.63 -35.74 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 125.83 111.196 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 120.8 110.297 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 40' ' ' ILE . 73.7 mt -57.86 -35.22 70.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 105.79000000000001 110.623 177.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.428 HH11 ' HB3' ' B' ' 41' ' ' GLU . 13.7 mtm180 -73.03 -45.17 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.395 -0.366 . . . . 140.49000000000001 111.785 179.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -64.04 -18.74 64.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 145.81999999999999 111.729 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -118.49 25.49 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 151.09 111.445 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 47.97 35.62 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.009 0.744 . . . . 168.71000000000001 113.009 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 63.26 34.21 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.065 0.765 . . . . 112.13 113.065 175.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -89.48 88.01 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.176 -0.675 . . . . 123.31 109.176 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -48.45 -52.19 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.813 0.672 . . . . 92.239999999999995 112.813 -173.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.425 ' HA ' HD13 ' B' ' 62' ' ' LEU . 17.4 tttm -47.59 -42.48 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.691 0.626 . . . . 125.97 112.691 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -85.51 -27.61 25.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.213 0.449 . . . . 148.69999999999999 112.213 -174.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . 0.443 ' O ' HG12 ' B' ' 58' ' ' ILE . 46.7 m -67.03 -53.79 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.711 0.291 . . . . 109.34 110.783 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.551 ' HB2' HD22 ' B' ' 65' ' ' LEU . . . -60.02 -10.81 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 88.269999999999996 111.069 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -94.7 -39.85 10.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 128.46000000000001 110.861 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -73.41 -22.64 60.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 137.30000000000001 112.037 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.443 HG12 ' O ' ' B' ' 54' ' ' THR . 16.0 pt -102.59 -10.95 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.39 0.515 . . . . 84.430000000000007 112.39 -179.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.7 7.17 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 115.888 1.115 . . . . 81.25 115.888 172.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.26 176.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.404 . . . . 98.209999999999994 110.33 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.475 ' HB3' HD22 ' B' ' 64' ' ' ASN . 4.2 t70 -88.39 136.83 32.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.092 -0.707 . . . . 116.78 109.092 178.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 52' ' ' LYS . 23.2 tp -54.79 -37.33 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.397 -0.365 . . . . 114.22 110.383 179.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.0 p -61.59 -32.75 72.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 117.97 110.186 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.475 HD22 ' HB3' ' B' ' 61' ' ' ASP . 45.5 m-80 -80.84 -23.42 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 94.010000000000005 111.9 177.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' B' ' 55' ' ' ALA . 42.0 tp -67.51 -46.49 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 101.48999999999999 110.449 175.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.504 ' CE1' " H5'" ' C' ' 1' ' ' ' DC' . 62.8 m-85 -59.75 -43.0 94.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 112.59999999999999 110.125 176.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -59.86 -41.88 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.933 -0.576 . . . . 103.61 112.051 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 64' ' ' ASN . 64.6 mttm -68.39 -30.61 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 102.36 110.92 178.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 65' ' ' LEU . 66.6 mt -69.96 -36.93 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 85.409999999999997 111.052 179.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.36 -33.71 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 113.7 111.048 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.8 m -78.24 -48.95 14.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 108.87 111.907 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -88.11 0.45 55.99 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.577 0.584 . . . . 97.709999999999994 112.577 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.8 m120 55.75 69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.497 0.554 . . . . 88.75 112.497 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.501 HG23 ' HG2' ' B' ' 41' ' ' GLU . 39.6 mt -104.83 131.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.962 0.411 . . . . 120.19 110.225 178.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.607 ' HD3' ' HE3' ' B' ' 77' ' ' LYS . 0.0 OUTLIER -92.56 115.52 28.17 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.282 0.563 . . . . 129.34999999999999 112.476 -177.903 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 76' ' ' VAL . 1.4 m -86.27 73.6 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 121.603 0.716 . . . . 183.03 109.369 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.607 ' HE3' ' HD3' ' B' ' 75' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.586 0 CA-C-N 114.369 -1.287 . . . . 115.84 110.197 178.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.504 " H5'" ' CE1' ' B' ' 66' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.452 0 C4'-C3'-C2' 105.769 2.569 . . . . 123.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DT' . . . . . 0.442 ' N3 ' ' N1 ' ' D' ' 21' ' ' ' DA' . . . . . . . . 0 P--O5' 1.601 0.849 0 P-O5'-C5' 117.943 -1.848 . . . . 125.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.432 0 P-O5'-C5' 119.852 -0.655 . . . . 137.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DG' . . . . . 0.595 H2'' " O5'" ' C' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 101.935 -1.265 . . . . 154.90000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DC' . . . . . 0.595 " O5'" H2'' ' C' ' 4' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.414 -1.284 0 O4'-C1'-N19 110.891 3.864 . . . . 173.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.055 0 P-O5'-C5' 119.327 -0.983 . . . . 160.24000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DA' . . . . . 0.452 H2'' ' H8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.414 -1.298 0 C3'-C2'-C1' 99.0 -2.643 . . . . 158.75 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.452 ' H8 ' H2'' ' C' ' 7' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.413 -1.42 0 O4'-C1'-N19 110.236 3.045 . . . . 137.86000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.341 0 C1'-O4'-C4' 105.443 -3.04 . . . . 114.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.155 0 P-O5'-C5' 119.234 -1.041 . . . . 99.280000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.442 " H2'" ' C8 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.53 1.246 0 C3'-C2'-C1' 104.506 1.29 . . . . 101.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.442 ' C8 ' " H2'" ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.415 -1.229 0 C3'-C2'-C1' 100.502 -1.57 . . . . 117.54000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.441 0 O4'-C1'-N19 109.903 2.628 . . . . 121.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.519 0.948 0 O4'-C1'-N19 109.304 1.88 . . . . 134.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ' DA' . . . . . 0.427 H2'' " O5'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.408 -1.782 0 O4'-C4'-C3' 107.863 2.263 . . . . 143.19999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.435 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.415 -1.265 0 P-O5'-C5' 117.859 -1.901 . . . . 148.58000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.684 " H2'" ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.53 1.175 0 O4'-C1'-N19 109.504 2.13 . . . . 132.38999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.684 ' C8 ' " H2'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.393 0 C1'-O4'-C4' 106.826 -2.053 . . . . 146.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.575 " H5'" H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 C3'-C2'-C1' 98.189 -3.222 . . . . 150.59999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.181 0 O4'-C1'-N19 109.726 2.407 . . . . 139.43000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.72 ' H3 ' ' H2 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.521 1.301 0 O4'-C1'-N19 110.437 3.296 . . . . 146.99000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ' DG' . . . . . 0.8 " H2'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.417 -1.438 0 C4'-C3'-C2' 106.294 3.094 . . . . 196.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.8 ' C8 ' " H2'" ' D' ' 1' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.53 1.215 0 C3'-C2'-C1' 104.99 1.636 . . . . 160.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.674 " H2'" ' C8 ' ' D' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 O4'-C4'-C3' 103.423 -2.177 . . . . 169.71000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' ' DG' . . . . . 0.674 ' C8 ' " H2'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.176 0 C4'-C3'-C2' 105.803 2.603 . . . . 149.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ' DC' . . . . . 0.73 " H2'" ' C8 ' ' D' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.419 -1.289 0 O4'-C1'-N19 109.01 1.513 . . . . 131.25999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ' DA' . . . . . 0.73 ' C8 ' " H2'" ' D' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.414 -1.342 1 C3'-C2'-C1' 96.688 -4.294 . . . . 124.61 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.528 H5'' ' CE1' ' A' ' 66' ' ' TYR . . . . . . . . 0 C3'--C2' 1.529 1.114 0 O4'-C1'-N19 110.246 3.057 . . . . 101.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.738 H2'' " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.183 0 C4'-C3'-C2' 104.463 1.263 . . . . 94.900000000000006 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.738 " H5'" H2'' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.415 -1.237 0 C4'-C3'-C2' 99.6 -3.6 . . . . 108.64 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ' DG' . . . . . 0.901 H2'' H5'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-N19 109.484 2.105 . . . . 120.93000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.901 H5'' H2'' ' D' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O5'-C5'-C4' 111.947 1.248 . . . . 134.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ' DA' . . . . . 0.502 ' C8 ' H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.193 0 C3'-C2'-C1' 100.418 -1.63 . . . . 135.09 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.157 0 P-O5'-C5' 119.31 -0.994 . . . . 139.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 108.891 1.364 . . . . 132.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.322 0 C4'-C3'-C2' 105.019 1.819 . . . . 107.68000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.123 0 C4'-C3'-C2' 104.63 1.43 . . . . 112.51000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ' DT' . . . . . 0.638 " H2'" ' C8 ' ' D' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.173 0 O4'-C4'-C3' 103.462 -2.138 . . . . 120.75 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ' DG' . . . . . 0.638 ' C8 ' " H2'" ' D' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C4'-C3'-C2' 104.759 1.559 . . . . 116.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ' DC' . . . . . 0.412 H2'' ' C8 ' ' D' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.201 0 O4'-C1'-N19 109.779 2.474 . . . . 141.83000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ' DA' . . . . . 0.412 ' C8 ' H2'' ' D' ' 19' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.529 1.06 0 O4'-C1'-N19 109.447 2.058 . . . . 159.66 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ' DA' . . . . . 0.442 ' N1 ' ' N3 ' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.173 0 C3'-C2'-C1' 104.755 1.468 . . . . 174.86000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_