data_3ngk_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 3ngk _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 ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 25.399999999999999 111.568 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 154.74 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.682 0.623 . . . . 14.109999999999999 112.682 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -121.33 130.44 53.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.679 -0.691 . . . . 15.970000000000001 110.362 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.56 138.94 12.7 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 111.804 -0.518 . . . . 11.880000000000001 111.804 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtm -138.55 128.3 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.534 0.568 . . . . 16.629999999999999 112.534 -176.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.66 118.1 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.869 -0.789 . . . . 9.5999999999999996 108.869 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -112.02 125.46 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.404 . . . . 12.0 111.36 -174.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 p -127.82 157.94 39.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 13.75 111.723 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -97.61 101.66 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.413 -1.328 . . . . 32.090000000000003 107.413 171.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.61 140.56 6.39 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.87 -0.892 . . . . 13.119999999999999 110.87 -174.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 tp -76.4 -31.01 57.72 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.011 0.374 . . . . 15.4 112.011 -177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.9 m -62.33 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.444 -0.344 . . . . 10.08 111.367 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.73 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 10.199999999999999 110.468 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -51.04 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 10.039999999999999 111.225 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.36 -37.73 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 16.77 110.957 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.43 -43.57 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 12.609999999999999 110.789 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.36 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 9.8200000000000003 110.026 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.36 -56.04 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 10.91 111.541 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.27 -50.16 70.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 14.51 111.045 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.79 72.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 10.94 112.125 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mtm -67.44 -55.73 12.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.539 0.57 . . . . 17.559999999999999 112.539 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -66.4 -31.56 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.65 0.611 . . . . 15.619999999999999 112.65 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -73.42 -29.39 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.815 0.302 . . . . 13.300000000000001 111.815 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.0 m -81.68 -40.32 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.738 1.014 . . . . 12.66 113.738 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.25 175.5 9.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 12.93 111.785 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -86.52 64.94 8.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.457 0.54 . . . . 16.949999999999999 112.457 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.21 148.18 16.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 17.280000000000001 109.597 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ptm -97.62 133.07 42.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 41.700000000000003 110.701 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 24.010000000000002 111.394 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.81 -29.37 22.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.228 0.537 . . . . 33.579999999999998 111.021 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.29 -166.27 20.93 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.567 -0.613 . . . . 25.390000000000001 111.567 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -128.36 147.18 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.581 0.586 . . . . 29.809999999999999 112.581 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -118.38 140.15 50.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.573 -0.74 . . . . 38.210000000000001 109.727 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -123.5 124.58 43.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.059 0.457 . . . . 27.16 110.549 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 pt -106.2 19.58 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.797 -0.638 . . . . 16.370000000000001 110.917 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.68 179.07 52.68 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.451 -0.659 . . . . 15.5 111.451 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t 63.35 17.2 10.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 19.239999999999998 111.404 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.32 7.66 87.77 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 116.227 -0.442 . . . . 14.859999999999999 113.56 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.0 124.37 31.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.098 0.407 . . . . 13.619999999999999 112.098 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.79 127.78 64.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 13.289999999999999 110.976 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 m -113.89 121.38 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 13.26 111.888 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.9 t -91.93 130.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 11.91 110.033 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.7 mt -118.7 133.74 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.406 0.521 . . . . 18.640000000000001 112.406 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.5 m -135.33 153.59 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 16.530000000000001 111.772 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -127.2 147.36 50.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 24.710000000000001 110.848 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.72 -171.36 41.59 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.784 -0.927 . . . . 14.17 110.784 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.67 150.74 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.328 -0.549 . . . . 10.869999999999999 109.716 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.62 -40.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.887 0.699 . . . . 8.4800000000000004 112.887 -174.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.31 98.1 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.652 -0.579 . . . . 7.5499999999999998 111.652 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.82 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 9.0800000000000001 111.36 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.6 -38.79 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.289 0.477 . . . . 9.6300000000000008 112.289 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.19 -45.86 89.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 20.0 111.53 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.38 90.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.359 . . . . 10.279999999999999 110.867 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.1 79.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 10.58 111.795 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.5 p -64.18 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.111 0.411 . . . . 11.19 112.111 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.98 -47.85 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 16.300000000000001 109.938 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.26 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 12.51 111.341 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.61 -51.44 47.61 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 116.223 -0.444 . . . . 10.92 112.361 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.06 93.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 11.91 111.488 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.58 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 13.949999999999999 110.498 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.12 75.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 12.59 111.891 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.21 -39.02 65.87 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.814 0.672 . . . . 12.59 112.814 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -58.92 -28.95 66.7 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.9 0.333 . . . . 13.43 111.9 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.109 0.411 . . . . 19.030000000000001 112.109 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -95.03 -35.44 6.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.943 -0.571 . . . . 13.199999999999999 112.128 -176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.7 -145.22 4.24 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 115.341 0.897 . . . . 13.289999999999999 115.341 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -107.81 113.05 26.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 111.981 0.363 . . . . 23.98 111.981 -172.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.51 128.98 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 14.609999999999999 110.78 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -102.09 -51.93 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 19.710000000000001 111.795 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.54 147.97 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.435 0.531 . . . . 12.25 112.435 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.2 t -143.25 122.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.469 -0.937 . . . . 10.539999999999999 108.469 174.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -147.84 154.15 40.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.32 0.489 . . . . 10.83 112.32 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.92 132.95 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.787 -0.642 . . . . 9.8000000000000007 110.487 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.8 mt -118.34 103.13 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.264 -0.643 . . . . 12.630000000000001 109.264 173.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.93 -32.98 80.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 123.319 2.679 . . . . 12.48 113.105 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -153.33 85.29 4.2 Favored Pre-proline 0 C--N 1.33 -0.254 0 O-C-N 123.092 0.245 . . . . 24.899999999999999 111.617 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -60.15 142.02 97.39 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.193 1.929 . . . . 16.899999999999999 111.278 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.19 149.14 29.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.258 -0.645 . . . . 25.059999999999999 109.258 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 m -58.67 -40.07 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.452 0.538 . . . . 30.27 112.452 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.09 -34.23 71.76 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.704 -0.398 . . . . 37.600000000000001 110.758 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.0 t -69.83 -23.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.013 0.435 . . . . 32.090000000000003 110.943 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -56.36 -44.69 80.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 35.560000000000002 111.753 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -67.31 -14.64 63.1 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 115.069 1.507 . . . . 40.060000000000002 115.069 -174.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.7 pt -97.56 -3.66 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 37.090000000000003 110.683 176.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.32 145.5 30.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 109.075 -0.713 . . . . 44.740000000000002 109.075 172.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -73.65 165.92 31.09 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 120.911 1.074 . . . . 52.25 111.609 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.96 -10.99 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.296 -1.372 . . . . 65.310000000000002 107.296 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.57 11.27 0.75 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 106.429 -2.668 . . . . 64.310000000000002 106.429 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.0 pt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 114.903 -0.649 . . . . 72.640000000000001 110.841 -177.518 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 25.4 111.568 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 154.74 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.682 0.623 . . . . 14.11 112.682 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -121.33 130.44 53.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.679 -0.691 . . . . 15.97 110.362 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.56 138.94 12.7 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 111.804 -0.518 . . . . 11.88 111.804 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtm -138.55 128.3 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.534 0.568 . . . . 16.63 112.534 -176.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.66 118.1 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.869 -0.789 . . . . 9.6 108.869 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -112.02 125.46 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.404 . . . . 12.0 111.36 -174.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 p -127.82 157.94 39.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 13.75 111.723 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -97.61 101.66 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.413 -1.328 . . . . 32.09 107.413 171.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.61 140.56 6.39 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.87 -0.892 . . . . 13.12 110.87 -174.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 tp -76.4 -31.01 57.72 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.011 0.374 . . . . 15.4 112.011 -177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . 0.451 HG22 HG11 ' A' ' 68' ' ' VAL . 62.9 m -62.33 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.444 -0.344 . . . . 10.08 111.367 -178.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.73 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 10.2 110.468 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -51.04 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 10.04 111.225 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.36 -37.73 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 16.77 110.957 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.43 -43.57 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 12.61 110.789 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.36 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 9.82 110.026 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.36 -56.04 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 10.91 111.541 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 26.5 t0 -55.27 -50.16 70.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 14.51 111.045 -179.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.79 72.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 10.94 112.125 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mtm -67.44 -55.73 12.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.539 0.57 . . . . 17.56 112.539 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -66.4 -31.56 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.65 0.611 . . . . 15.62 112.65 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' ' OD1' ' A' ' 22' ' ' ASP . 93.7 mttt -73.42 -29.39 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.815 0.302 . . . . 13.3 111.815 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.0 m -81.68 -40.32 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.738 1.014 . . . . 12.66 113.738 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.25 175.5 9.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 12.93 111.785 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -86.52 64.94 8.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.457 0.54 . . . . 16.95 112.457 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.21 148.18 16.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 17.28 109.597 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' MET . 3.0 ptm -97.62 133.07 42.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 41.7 110.701 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 24.01 111.394 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . 0.578 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 99.1 t -74.81 -29.37 22.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.228 0.537 . . . . 33.58 111.021 178.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.29 -166.27 20.93 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.567 -0.613 . . . . 25.39 111.567 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -128.36 147.18 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.581 0.586 . . . . 29.81 112.581 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -118.38 140.15 50.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.573 -0.74 . . . . 38.21 109.727 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 96' ' ' HOH . 44.1 pttt -123.5 124.58 43.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.059 0.457 . . . . 27.16 110.549 177.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 pt -106.2 19.58 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.797 -0.638 . . . . 16.37 110.917 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.68 179.07 52.68 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.451 -0.659 . . . . 15.5 111.451 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t 63.35 17.2 10.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 19.24 111.404 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.32 7.66 87.77 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 116.227 -0.442 . . . . 14.86 113.56 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.0 124.37 31.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.098 0.407 . . . . 13.62 112.098 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.79 127.78 64.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 13.29 110.976 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 m -113.89 121.38 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 13.26 111.888 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.9 t -91.93 130.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 11.91 110.033 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.7 mt -118.7 133.74 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.406 0.521 . . . . 18.64 112.406 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.5 m -135.33 153.59 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 16.53 111.772 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -127.2 147.36 50.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 24.71 110.848 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.72 -171.36 41.59 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.784 -0.927 . . . . 14.17 110.784 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.67 150.74 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.328 -0.549 . . . . 10.87 109.716 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.62 -40.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.887 0.699 . . . . 8.48 112.887 -174.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.31 98.1 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.652 -0.579 . . . . 7.55 111.652 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.82 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 9.08 111.36 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.6 -38.79 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.289 0.477 . . . . 9.63 112.289 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.19 -45.86 89.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 20.0 111.53 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.38 90.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.359 . . . . 10.28 110.867 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.1 79.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 10.58 111.795 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.5 p -64.18 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.111 0.411 . . . . 11.19 112.111 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.98 -47.85 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 16.3 109.938 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.26 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 12.51 111.341 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.61 -51.44 47.61 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 116.223 -0.444 . . . . 10.92 112.361 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 74' ' ' VAL . . . -63.74 -39.06 93.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 11.91 111.488 -178.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.58 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 13.95 110.498 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.12 75.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 12.59 111.891 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.21 -39.02 65.87 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.814 0.672 . . . . 12.59 112.814 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . 0.532 HH21 ' HA ' ' A' ' 70' ' ' GLU . 77.1 mtt85 -58.92 -28.95 66.7 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.9 0.333 . . . . 13.82 111.9 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.109 0.411 . . . . 19.03 112.109 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 15' ' ' THR . 98.0 t -95.03 -35.44 6.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.943 -0.571 . . . . 13.2 112.128 -176.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.7 -145.22 4.24 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 115.341 0.897 . . . . 13.29 115.341 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . 0.532 ' HA ' HH21 ' A' ' 66' ' ' ARG . 40.6 tt0 -107.81 113.05 26.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 111.981 0.363 . . . . 23.98 111.981 -172.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.51 128.98 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 14.61 110.78 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -102.09 -51.93 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 19.71 111.795 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.54 147.97 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.435 0.531 . . . . 12.25 112.435 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 62' ' ' ALA . 96.2 t -143.25 122.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.469 -0.937 . . . . 10.54 108.469 174.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -147.84 154.15 40.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.32 0.489 . . . . 10.83 112.32 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.92 132.95 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.787 -0.642 . . . . 9.8 110.487 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.8 mt -118.34 103.13 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.264 -0.643 . . . . 12.63 109.264 173.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.93 -32.98 80.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 123.319 2.679 . . . . 12.48 113.105 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -153.33 85.29 4.2 Favored Pre-proline 0 C--N 1.33 -0.254 0 O-C-N 123.092 0.245 . . . . 24.9 111.617 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -60.15 142.02 97.39 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.193 1.929 . . . . 16.9 111.278 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.19 149.14 29.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.258 -0.645 . . . . 25.06 109.258 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 m -58.67 -40.07 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.452 0.538 . . . . 30.27 112.452 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.09 -34.23 71.76 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.704 -0.398 . . . . 37.6 110.758 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 87' ' ' ILE . 69.0 t -69.83 -23.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.013 0.435 . . . . 32.09 110.943 -178.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -56.36 -44.69 80.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 35.56 111.753 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -67.31 -14.64 63.1 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 115.069 1.507 . . . . 40.06 115.069 -174.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 84' ' ' VAL . 20.7 pt -97.56 -3.66 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 37.09 110.683 176.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.32 145.5 30.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 109.075 -0.713 . . . . 44.74 109.075 172.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . 0.815 ' HB3' HG12 ' A' ' 92' ' ' ILE . 29.4 Cg_exo -73.65 165.92 31.09 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 120.911 1.074 . . . . 52.25 111.609 174.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.96 -10.99 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.296 -1.372 . . . . 65.31 107.296 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 33' ' ' VAL . . . 139.57 11.27 0.75 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 106.429 -2.668 . . . . 64.31 106.429 -172.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . 0.815 HG12 ' HB3' ' A' ' 89' ' ' PRO . 9.0 pt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 114.903 -0.649 . . . . 72.64 110.841 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . 0.457 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 25.4 111.568 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 154.74 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.682 0.623 . . . . 14.11 112.682 -175.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -121.33 130.44 53.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.679 -0.691 . . . . 15.97 110.362 -178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.56 138.94 12.7 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 111.804 -0.518 . . . . 11.88 111.804 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtm -138.55 128.3 25.05 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.534 0.568 . . . . 16.63 112.534 -176.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.66 118.1 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.869 -0.789 . . . . 9.6 108.869 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -112.02 125.46 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.404 . . . . 12.0 111.36 -174.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 p -127.82 157.94 39.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 13.75 111.723 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -97.61 101.66 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.413 -1.328 . . . . 32.09 107.413 171.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.61 140.56 6.39 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.87 -0.892 . . . . 13.12 110.87 -174.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 tp -76.4 -31.01 57.72 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.011 0.374 . . . . 15.4 112.011 -177.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . 0.451 HG22 HG11 ' A' ' 68' ' ' VAL . 62.9 m -62.33 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.444 -0.344 . . . . 10.08 111.367 -178.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.73 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 10.2 110.468 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -51.04 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 10.04 111.225 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.36 -37.73 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.35 . . . . 16.77 110.957 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.43 -43.57 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 12.61 110.789 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.36 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 9.82 110.026 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.36 -56.04 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 10.91 111.541 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 26.5 t0 -55.27 -50.16 70.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 14.51 111.045 -179.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.79 72.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 10.94 112.125 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mtm -67.44 -55.73 12.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.539 0.57 . . . . 17.56 112.539 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -66.4 -31.56 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.65 0.611 . . . . 15.62 112.65 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' ' OD1' ' A' ' 22' ' ' ASP . 93.7 mttt -73.42 -29.39 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.815 0.302 . . . . 13.3 111.815 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.0 m -81.68 -40.32 23.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.738 1.014 . . . . 12.66 113.738 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.25 175.5 9.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 12.93 111.785 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -86.52 64.94 8.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.457 0.54 . . . . 16.95 112.457 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.21 148.18 16.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 17.28 109.597 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' MET . 3.0 ptm -97.62 133.07 42.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 41.7 110.701 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 24.01 111.394 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 99.1 t -74.81 -29.37 22.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.228 0.537 . . . . 33.58 111.021 178.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.29 -166.27 20.93 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.567 -0.613 . . . . 25.39 111.567 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -128.36 147.18 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.581 0.586 . . . . 29.81 112.581 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -118.38 140.15 50.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.573 -0.74 . . . . 38.21 109.727 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 96' ' ' HOH . 44.1 pttt -123.5 124.58 43.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.059 0.457 . . . . 27.16 110.549 177.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 pt -106.2 19.58 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.797 -0.638 . . . . 16.37 110.917 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.68 179.07 52.68 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.451 -0.659 . . . . 15.5 111.451 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t 63.35 17.2 10.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 19.24 111.404 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.32 7.66 87.77 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 116.227 -0.442 . . . . 14.86 113.56 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.0 124.37 31.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.098 0.407 . . . . 13.62 112.098 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.79 127.78 64.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 13.29 110.976 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 m -113.89 121.38 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 13.26 111.888 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.9 t -91.93 130.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 11.91 110.033 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 52.7 mt -118.7 133.74 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.406 0.521 . . . . 18.64 112.406 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.5 m -135.33 153.59 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 16.53 111.772 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -127.2 147.36 50.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 24.71 110.848 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.72 -171.36 41.59 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.784 -0.927 . . . . 14.17 110.784 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.67 150.74 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.328 -0.549 . . . . 10.87 109.716 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.62 -40.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.887 0.699 . . . . 8.48 112.887 -174.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.66 -44.31 98.1 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.652 -0.579 . . . . 7.55 111.652 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.49 -49.82 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 9.08 111.36 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.6 -38.79 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.289 0.477 . . . . 9.63 112.289 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.19 -45.86 89.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 20.0 111.53 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.38 90.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.359 . . . . 10.28 110.867 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.1 79.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 10.58 111.795 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.5 p -64.18 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.111 0.411 . . . . 11.19 112.111 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.98 -47.85 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 16.3 109.938 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.26 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 12.51 111.341 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.61 -51.44 47.61 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 116.223 -0.444 . . . . 10.92 112.361 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 74' ' ' VAL . . . -63.74 -39.06 93.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 11.91 111.488 -178.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.58 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 13.95 110.498 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.12 75.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 12.59 111.891 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.21 -39.02 65.87 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.814 0.672 . . . . 12.59 112.814 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.532 HH21 ' HA ' ' A' ' 70' ' ' GLU . 77.1 mtt85 -58.92 -28.95 66.7 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.9 0.333 . . . . 13.82 111.9 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.109 0.411 . . . . 19.03 112.109 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 15' ' ' THR . 98.0 t -95.03 -35.44 6.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.943 -0.571 . . . . 13.2 112.128 -176.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.7 -145.22 4.24 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 115.341 0.897 . . . . 13.29 115.341 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.532 ' HA ' HH21 ' A' ' 66' ' ' ARG . 40.6 tt0 -107.81 113.05 26.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 111.981 0.363 . . . . 23.98 111.981 -172.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.51 128.98 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 14.61 110.78 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -102.09 -51.93 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 19.71 111.795 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.54 147.97 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.435 0.531 . . . . 12.25 112.435 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 62' ' ' ALA . 96.2 t -143.25 122.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.469 -0.937 . . . . 10.54 108.469 174.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -147.84 154.15 40.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.32 0.489 . . . . 10.83 112.32 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -131.92 132.95 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.787 -0.642 . . . . 9.8 110.487 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.8 mt -118.34 103.13 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.264 -0.643 . . . . 12.63 109.264 173.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.93 -32.98 80.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 123.319 2.679 . . . . 12.48 113.105 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -153.33 85.29 4.2 Favored Pre-proline 0 C--N 1.33 -0.254 0 O-C-N 123.092 0.245 . . . . 24.9 111.617 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -60.15 142.02 97.39 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.193 1.929 . . . . 16.9 111.278 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.19 149.14 29.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.258 -0.645 . . . . 25.06 109.258 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 m -58.67 -40.07 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.452 0.538 . . . . 30.27 112.452 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.09 -34.23 71.76 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.704 -0.398 . . . . 37.6 110.758 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 87' ' ' ILE . 69.0 t -69.83 -23.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.013 0.435 . . . . 32.09 110.943 -178.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -56.36 -44.69 80.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 35.56 111.753 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -67.31 -14.64 63.1 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 115.069 1.507 . . . . 40.06 115.069 -174.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 84' ' ' VAL . 20.7 pt -97.56 -3.66 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 37.09 110.683 176.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.32 145.5 30.64 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 109.075 -0.713 . . . . 44.74 109.075 172.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.815 ' HB3' HG12 ' A' ' 92' ' ' ILE . 29.4 Cg_exo -73.65 165.92 31.09 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 120.911 1.074 . . . . 52.25 111.609 174.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.96 -10.99 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.296 -1.372 . . . . 65.31 107.296 173.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 33' ' ' VAL . . . 139.57 11.27 0.75 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 106.429 -2.668 . . . . 64.31 106.429 -172.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.815 HG12 ' HB3' ' A' ' 89' ' ' PRO . 9.0 pt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 114.903 -0.649 . . . . 72.64 110.841 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . 0.457 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_