data_3msh_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 3msh _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 ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 76.810000000000002 111.587 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -114.48 104.53 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 59.140000000000001 110.116 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.45 145.44 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.588 -0.445 . . . . 28.210000000000001 110.686 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 p -119.57 152.33 37.19 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.423 0.63 . . . . 21.690000000000001 110.132 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.66 -39.69 81.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.382 -0.527 . . . . 21.649999999999999 111.093 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 61.4 mm-40 -57.36 -44.5 84.43 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 120.79 -0.364 . . . . 32.32 110.413 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.82 -42.74 94.73 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.827 0.822 . . . . 36.670000000000002 110.305 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -60.61 -38.98 86.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.002 0.742 . . . . 23.77 113.002 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.96 -42.57 94.49 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.798 -0.564 . . . . 23.32 110.778 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.04 -46.18 85.78 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.33 -0.396 . . . . 40.950000000000003 111.362 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.2 -45.05 92.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 121.363 0.601 . . . . 25.359999999999999 110.661 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -62.48 -41.89 99.1 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 121.584 0.707 . . . . 18.399999999999999 110.033 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.4 mmm -66.79 -14.83 63.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.411 0.893 . . . . 21.329999999999998 113.411 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.41 -20.4 64.66 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.237 0.458 . . . . 50.219999999999999 112.237 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -66.65 119.68 65.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.312 -1.366 . . . . 17.629999999999999 107.312 173.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.01 -21.02 64.03 Favored 'Trans proline' 0 C--O 1.242 0.677 0 C-N-CA 120.438 0.759 . . . . 24.059999999999999 113.598 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.3 p -84.78 -15.57 44.49 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 112.486 0.55 . . . . 22.48 112.486 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.89 119.52 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.098 0.475 . . . . 13.890000000000001 110.657 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.31 -7.52 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 113.474 0.916 . . . . 13.699999999999999 113.474 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.26 150.83 20.87 Favored Glycine 0 C--O 1.227 -0.287 0 N-CA-C 110.861 -0.896 . . . . 10.960000000000001 110.861 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -149.02 141.82 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.405 -0.591 . . . . 16.719999999999999 109.405 175.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 tt -148.74 138.87 22.31 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.806 -0.813 . . . . 18.649999999999999 108.806 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.31 138.64 52.26 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.223 -0.444 . . . . 17.309999999999999 110.937 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 p -132.45 162.54 30.9 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 120.667 -0.413 . . . . 17.420000000000002 110.866 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -85.25 -174.29 5.15 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.268 -1.012 . . . . 22.210000000000001 108.268 167.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.0 p -73.84 -5.26 39.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.106 1.15 . . . . 30.309999999999999 114.106 -172.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -117.76 13.73 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.898 0.703 . . . . 50.340000000000003 112.898 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.79 5.94 66.01 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 117.063 1.585 . . . . 20.120000000000001 117.063 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 126.22 26.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.044 -0.662 . . . . 21.699999999999999 109.507 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -77.59 107.89 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 23.359999999999999 110.239 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.9 -18.86 38.67 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.185 0.439 . . . . 19.140000000000001 112.185 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.65 148.85 5.36 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 111.111 -0.796 . . . . 14.880000000000001 111.111 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.6 p -156.09 159.97 39.55 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.182 0.515 . . . . 19.460000000000001 111.918 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' NH2' ' OE2' ' A' ' 6' ' ' GLU . 86.2 mmt-85 -144.78 155.08 43.33 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.034 -0.984 . . . . 30.399999999999999 110.234 173.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.25 -136.1 26.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.926 -0.654 . . . . 16.379999999999999 113.312 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -72.32 -16.61 61.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.908 0.707 . . . . 18.73 112.908 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.14 125.47 46.26 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.031 -0.668 . . . . 18.129999999999999 110.597 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -136.67 -172.38 3.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.988 -0.551 . . . . 33.109999999999999 112.144 -170.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.56 -38.79 56.01 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.842 0.682 . . . . 33.799999999999997 112.842 -173.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.35 -14.89 63.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.425 0.898 . . . . 58.450000000000003 113.425 -175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -99.28 -10.62 22.13 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.794 1.035 . . . . 28.940000000000001 113.794 -175.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.17 89.12 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.49 0.922 . . . . 18.329999999999998 113.49 -171.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.25 80.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.834 -0.698 . . . . 21.379999999999999 111.607 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.8 -46.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.828 0.677 . . . . 27.469999999999999 112.828 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.0 mt -56.52 -44.79 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 111.737 0.273 . . . . 18.420000000000002 111.737 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.4 t -64.75 -43.81 92.12 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 111.831 0.308 . . . . 19.390000000000001 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.76 -43.19 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.115 -0.634 . . . . 21.280000000000001 111.2 178.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.6 mt -56.53 -47.11 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.061 0.458 . . . . 18.809999999999999 110.972 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.27 94.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 17.920000000000002 111.705 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.125 -0.63 . . . . 30.98 111.899 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -66.21 -41.28 90.36 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.938 -0.705 . . . . 32.390000000000001 111.688 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.88 81.34 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.544 -0.462 . . . . 27.300000000000001 111.073 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 32.960000000000001 111.54 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.61 -20.49 66.01 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.378 0.51 . . . . 57.659999999999997 112.378 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 56' ' ' THR . 53.1 mt -88.79 27.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.889 0.7 . . . . 47.840000000000003 112.889 -179.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 55' ' ' LEU . 81.6 p -159.08 152.57 22.77 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.078 0.77 . . . . 79.569999999999993 113.078 176.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -111.74 145.29 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.644 -2.354 . . . . 96.120000000000005 104.644 163.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' CB ' ' CA ' ' A' ' 59' ' ' PRO . 1.3 m-20 -59.73 -153.42 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 113.81 1.041 . . . . 105.44 113.81 -173.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . 0.702 ' CA ' ' CB ' ' A' ' 58' ' ' ASP . 24.1 Cg_exo -69.54 123.07 6.4 Favored 'Cis proline' 0 C--N 1.345 0.375 0 C-N-CA 130.715 1.548 . . . . 106.69 113.314 1.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . 0.431 ' N ' ' CB ' ' A' ' 58' ' ' ASP . 13.4 t 44.16 28.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.258 0.836 . . . . 101.72 113.258 176.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -86.99 64.32 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.509 -0.314 . . . . 58.100000000000001 110.855 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.84 115.41 48.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 66.069999999999993 111.087 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.01 136.99 46.85 Favored 'Trans proline' 0 C--N 1.345 0.352 0 O-C-N 122.595 0.787 . . . . 44.0 112.386 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG1' ' CE ' ' A' ' 75' ' ' MET . 86.9 t -78.81 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 107.905 -1.146 . . . . 31.039999999999999 107.905 168.256 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t -106.56 128.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 110.076 -0.342 . . . . 22.760000000000002 110.076 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.9 t -117.87 140.94 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 42.0 109.732 175.124 -173.313 0.0 0.0 0.0 0.0 0.0 0.0 -173.313 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.44 132.3 54.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.798 -1.927 . . . . 36.329999999999998 105.798 174.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -128.83 134.13 48.23 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.437 -0.505 . . . . 75.489999999999995 111.409 177.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -152.75 -177.23 6.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.644 -0.873 . . . . 23.469999999999999 108.644 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.4 -27.55 56.69 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.813 0.672 . . . . 40.670000000000002 112.813 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -89.45 13.33 14.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 118.323 -1.351 . . . . 31.800000000000001 114.013 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.68 -155.73 16.13 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-O 122.188 0.882 . . . . 18.109999999999999 112.354 171.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -130.98 143.4 50.7 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.314 -0.443 . . . . 37.240000000000002 110.74 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.24 129.38 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 N-CA-C 106.902 -1.518 . . . . 20.109999999999999 106.902 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' MET . . . . . 0.466 ' CE ' ' CG1' ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.39 127.9 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.393 -0.965 . . . . 73.209999999999994 108.393 176.879 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.9 mt -121.41 124.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.805 -0.443 . . . . 16.59 109.805 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -148.71 153.09 37.73 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.774 -0.454 . . . . 41.289999999999999 109.774 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -86.7 139.96 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.136 -0.626 . . . . 42.020000000000003 111.23 172.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -139.13 117.73 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.631 -0.877 . . . . 40.950000000000003 108.631 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 53.64 36.35 23.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.684 0.624 . . . . 45.039999999999999 112.684 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.41 -21.97 39.25 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.359 0.904 . . . . 30.719999999999999 115.359 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.3 pt -109.55 158.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 119.45 -0.9 . . . . 31.82 113.064 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.6 m -91.8 124.74 36.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 18.18 109.848 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.37 126.09 74.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 109.836 -0.431 . . . . 16.07 109.836 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.72 134.06 55.25 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.536 -0.913 . . . . 12.91 108.536 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.7 t -127.29 128.72 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 123.462 0.705 . . . . 15.27 109.369 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -107.3 122.95 47.59 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.403 0.681 . . . . 15.44 109.805 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.03 147.76 43.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.032 -0.729 . . . . 42.920000000000002 109.032 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' MET . . . . . 0.555 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 85.5 mmm -80.41 170.14 16.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.16 -0.616 . . . . 43.299999999999997 112.1 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 89' ' ' MET . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.681 -0.69 . . . . 84.170000000000002 109.866 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 998' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 76.810000000000002 111.587 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -114.48 104.53 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 59.140000000000001 110.116 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.45 145.44 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.588 -0.445 . . . . 28.210000000000001 110.686 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 p -119.57 152.33 37.19 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.423 0.63 . . . . 21.690000000000001 110.132 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.66 -39.69 81.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.382 -0.527 . . . . 21.649999999999999 111.093 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.36 -44.5 84.43 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 120.79 -0.364 . . . . 32.32 110.413 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.82 -42.74 94.73 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.827 0.822 . . . . 36.670000000000002 110.305 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . 0.645 ' HB3' ' C5 ' ' A' ' 106' ' ' PG4 . 18.0 m170 -60.61 -38.98 86.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.002 0.742 . . . . 23.77 113.002 179.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.96 -42.57 94.49 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.798 -0.564 . . . . 23.32 110.778 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.04 -46.18 85.78 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.33 -0.396 . . . . 40.950000000000003 111.362 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . 0.728 ' HB2' ' H81' ' A' ' 106' ' ' PG4 . 95.8 m-20 -59.2 -45.05 92.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 121.363 0.601 . . . . 25.359999999999999 110.661 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -62.48 -41.89 99.1 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 121.584 0.707 . . . . 18.399999999999999 110.033 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.4 mmm -66.79 -14.83 63.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.411 0.893 . . . . 21.329999999999998 113.411 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.41 -20.4 64.66 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.237 0.458 . . . . 50.219999999999999 112.237 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -66.65 119.68 65.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.312 -1.366 . . . . 17.629999999999999 107.312 173.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.01 -21.02 64.03 Favored 'Trans proline' 0 C--O 1.242 0.677 0 C-N-CA 120.438 0.759 . . . . 24.059999999999999 113.598 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.3 p -84.78 -15.57 44.49 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 112.486 0.55 . . . . 27.91 112.486 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.89 119.52 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.098 0.475 . . . . 13.890000000000001 110.657 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.31 -7.52 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 113.474 0.916 . . . . 13.699999999999999 113.474 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.26 150.83 20.87 Favored Glycine 0 C--O 1.227 -0.287 0 N-CA-C 110.861 -0.896 . . . . 10.960000000000001 110.861 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -149.02 141.82 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.405 -0.591 . . . . 16.719999999999999 109.405 175.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 tt -148.74 138.87 22.31 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.806 -0.813 . . . . 18.649999999999999 108.806 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.31 138.64 52.26 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.223 -0.444 . . . . 17.309999999999999 110.937 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . 0.733 HG22 ' HB ' ' A' ' 83' ' ' THR . 14.9 p -132.45 162.54 30.9 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 120.667 -0.413 . . . . 17.420000000000002 110.866 175.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -85.25 -174.29 5.15 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.268 -1.012 . . . . 22.210000000000001 108.268 167.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.0 p -73.84 -5.26 39.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.106 1.15 . . . . 30.309999999999999 114.106 -172.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -117.76 13.73 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.898 0.703 . . . . 50.340000000000003 112.898 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.79 5.94 66.01 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 117.063 1.585 . . . . 20.120000000000001 117.063 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 126.22 26.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.044 -0.662 . . . . 21.699999999999999 109.507 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -77.59 107.89 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 23.359999999999999 110.239 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.9 -18.86 38.67 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.185 0.439 . . . . 19.140000000000001 112.185 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . 0.816 ' HA2' ' H32' ' A' ' 100' ' ' IPA . . . 159.65 148.85 5.36 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 111.111 -0.796 . . . . 14.880000000000001 111.111 179.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.6 p -156.09 159.97 39.55 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.182 0.515 . . . . 19.460000000000001 111.918 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -144.78 155.08 43.33 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.034 -0.984 . . . . 30.399999999999999 110.234 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.25 -136.1 26.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.926 -0.654 . . . . 16.379999999999999 113.312 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -72.32 -16.61 61.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.908 0.707 . . . . 18.73 112.908 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.14 125.47 46.26 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.031 -0.668 . . . . 18.129999999999999 110.597 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -136.67 -172.38 3.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.988 -0.551 . . . . 33.109999999999999 112.144 -170.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.56 -38.79 56.01 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.842 0.682 . . . . 33.799999999999997 112.842 -173.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 133' ' ' HOH . 14.0 pt-20 -67.35 -14.89 63.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.425 0.898 . . . . 58.450000000000003 113.425 -175.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -99.28 -10.62 22.13 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.794 1.035 . . . . 28.940000000000001 113.794 -175.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.17 89.12 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.49 0.922 . . . . 18.329999999999998 113.49 -171.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.25 80.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.834 -0.698 . . . . 21.379999999999999 111.607 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 120' ' ' HOH . 57.5 t -59.8 -46.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.828 0.677 . . . . 27.469999999999999 112.828 178.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.0 mt -56.52 -44.79 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 111.737 0.273 . . . . 18.420000000000002 111.737 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.4 t -64.75 -43.81 92.12 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 111.831 0.308 . . . . 19.390000000000001 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.76 -43.19 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.115 -0.634 . . . . 21.280000000000001 111.2 178.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.6 mt -56.53 -47.11 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.061 0.458 . . . . 18.809999999999999 110.972 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.27 94.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 17.920000000000002 111.705 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.125 -0.63 . . . . 30.98 111.899 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -66.21 -41.28 90.36 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.938 -0.705 . . . . 32.390000000000001 111.688 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.88 81.34 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.544 -0.462 . . . . 27.300000000000001 111.073 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 32.960000000000001 111.54 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.61 -20.49 66.01 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.378 0.51 . . . . 57.659999999999997 112.378 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 56' ' ' THR . 53.1 mt -88.79 27.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.889 0.7 . . . . 47.840000000000003 112.889 -179.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . 0.543 HG21 ' HG3' ' A' ' 63' ' ' PRO . 81.6 p -159.08 152.57 22.77 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.078 0.77 . . . . 79.569999999999993 113.078 176.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -111.74 145.29 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.644 -2.354 . . . . 96.120000000000005 104.644 163.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . 1.024 ' HB3' ' HA ' ' A' ' 59' ' ' PRO . 1.3 m-20 -59.73 -153.42 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 113.81 1.041 . . . . 105.44 113.81 -173.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . 1.024 ' HA ' ' HB3' ' A' ' 58' ' ' ASP . 24.1 Cg_exo -69.54 123.07 6.4 Favored 'Cis proline' 0 C--N 1.345 0.375 0 C-N-CA 130.715 1.548 . . . . 106.69 113.314 1.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . 0.793 ' N ' ' HB3' ' A' ' 58' ' ' ASP . 13.4 t 44.16 28.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.258 0.836 . . . . 101.72 113.258 176.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -86.99 64.32 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.509 -0.314 . . . . 58.100000000000001 110.855 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.84 115.41 48.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 66.069999999999993 111.087 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PRO . . . . . 0.543 ' HG3' HG21 ' A' ' 56' ' ' THR . 32.4 Cg_exo -66.01 136.99 46.85 Favored 'Trans proline' 0 C--N 1.345 0.352 0 O-C-N 122.595 0.787 . . . . 44.0 112.386 -179.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . 0.884 HG11 ' CE ' ' A' ' 75' ' ' MET . 86.9 t -78.81 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 107.905 -1.146 . . . . 31.039999999999999 107.905 168.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t -106.56 128.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 110.076 -0.342 . . . . 22.760000000000002 110.076 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' CYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 75' ' ' MET . 47.9 t -117.87 140.94 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 42.0 109.732 175.124 -173.313 0.0 0.0 0.0 0.0 0.0 0.0 -173.313 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.44 132.3 54.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.798 -1.927 . . . . 36.329999999999998 105.798 174.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . 0.594 ' HG3' ' OD1' ' A' ' 73' ' ' ASN . 21.4 tt0 -128.83 134.13 48.23 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.437 -0.505 . . . . 75.489999999999995 111.409 177.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -152.75 -177.23 6.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.644 -0.873 . . . . 23.469999999999999 108.644 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.4 -27.55 56.69 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.813 0.672 . . . . 40.670000000000002 112.813 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -89.45 13.33 14.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 118.323 -1.351 . . . . 31.800000000000001 114.013 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.68 -155.73 16.13 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-O 122.188 0.882 . . . . 18.109999999999999 112.354 171.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . 0.594 ' OD1' ' HG3' ' A' ' 68' ' ' GLU . 66.8 m-20 -130.98 143.4 50.7 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.314 -0.443 . . . . 37.240000000000002 110.74 -176.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.24 129.38 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 N-CA-C 106.902 -1.518 . . . . 20.109999999999999 106.902 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' MET . . . . . 0.884 ' CE ' HG11 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.39 127.9 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.393 -0.965 . . . . 73.209999999999994 108.393 176.879 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.9 mt -121.41 124.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.805 -0.443 . . . . 16.59 109.805 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 168' ' ' HOH . 65.9 tt0 -148.71 153.09 37.73 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.774 -0.454 . . . . 41.289999999999999 109.774 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -86.7 139.96 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.136 -0.626 . . . . 42.020000000000003 111.23 172.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . 0.62 ' ND1' ' H21' ' A' ' 106' ' ' PG4 . 34.9 t-80 -139.13 117.73 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.631 -0.877 . . . . 40.950000000000003 108.631 176.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 53.64 36.35 23.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.684 0.624 . . . . 45.039999999999999 112.684 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.41 -21.97 39.25 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.359 0.904 . . . . 30.719999999999999 115.359 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.3 pt -109.55 158.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 119.45 -0.9 . . . . 31.82 113.064 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . 0.733 ' HB ' HG22 ' A' ' 24' ' ' THR . 86.6 m -91.8 124.74 36.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 18.18 109.848 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.37 126.09 74.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 109.836 -0.431 . . . . 16.07 109.836 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.72 134.06 55.25 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.536 -0.913 . . . . 12.91 108.536 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.7 t -127.29 128.72 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 123.462 0.705 . . . . 15.27 109.369 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -107.3 122.95 47.59 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.403 0.681 . . . . 15.44 109.805 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.03 147.76 43.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.032 -0.729 . . . . 42.920000000000002 109.032 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 85.5 mmm -80.41 170.14 16.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.16 -0.616 . . . . 43.299999999999997 112.1 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 89' ' ' MET . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.681 -0.69 . . . . 84.170000000000002 109.866 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 998' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' IPA . . . . . 0.816 ' H32' ' HA2' ' A' ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PG4 . . . . . 0.728 ' H81' ' HB2' ' A' ' 11' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . 0.484 ' O ' ' HB2' ' A' ' 89' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . 0.52 ' O ' HG23 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . 0.433 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . 0.635 ' O ' ' H11' ' A' ' 100' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . 0.472 ' O ' ' H12' ' A' ' 100' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 76.81 111.587 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -114.48 104.53 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 59.14 110.116 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.45 145.44 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.588 -0.445 . . . . 28.21 110.686 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 p -119.57 152.33 37.19 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.423 0.63 . . . . 21.69 110.132 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.66 -39.69 81.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.382 -0.527 . . . . 21.65 111.093 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -57.36 -44.5 84.43 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 120.79 -0.364 . . . . 32.32 110.413 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.82 -42.74 94.73 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.827 0.822 . . . . 36.67 110.305 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.645 ' HB3' ' C5 ' ' A' ' 106' ' ' PG4 . 18.0 m170 -60.61 -38.98 86.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.002 0.742 . . . . 23.77 113.002 179.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.96 -42.57 94.49 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.798 -0.564 . . . . 23.32 110.778 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -58.04 -46.18 85.78 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.33 -0.396 . . . . 40.95 111.362 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.728 ' HB2' ' H81' ' A' ' 106' ' ' PG4 . 95.8 m-20 -59.2 -45.05 92.08 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 121.363 0.601 . . . . 25.36 110.661 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -62.48 -41.89 99.1 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 121.584 0.707 . . . . 18.4 110.033 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.4 mmm -66.79 -14.83 63.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.411 0.893 . . . . 21.33 113.411 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.41 -20.4 64.66 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.237 0.458 . . . . 50.22 112.237 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -66.65 119.68 65.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.312 -1.366 . . . . 17.63 107.312 173.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.01 -21.02 64.03 Favored 'Trans proline' 0 C--O 1.242 0.677 0 C-N-CA 120.438 0.759 . . . . 24.06 113.598 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.3 p -84.78 -15.57 44.49 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 112.486 0.55 . . . . 27.91 112.486 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.89 119.52 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.098 0.475 . . . . 13.89 110.657 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.31 -7.52 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 113.474 0.916 . . . . 13.7 113.474 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.26 150.83 20.87 Favored Glycine 0 C--O 1.227 -0.287 0 N-CA-C 110.861 -0.896 . . . . 10.96 110.861 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -149.02 141.82 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.405 -0.591 . . . . 16.72 109.405 175.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 tt -148.74 138.87 22.31 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.806 -0.813 . . . . 18.65 108.806 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.5 m -118.31 138.64 52.26 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.223 -0.444 . . . . 17.31 110.937 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . 0.733 HG22 ' HB ' ' A' ' 83' ' ' THR . 14.9 p -132.45 162.54 30.9 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 120.667 -0.413 . . . . 17.42 110.866 175.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -85.25 -174.29 5.15 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.268 -1.012 . . . . 22.21 108.268 167.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.0 p -73.84 -5.26 39.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.106 1.15 . . . . 30.31 114.106 -172.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -117.76 13.73 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.898 0.703 . . . . 50.34 112.898 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.79 5.94 66.01 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 117.063 1.585 . . . . 20.12 117.063 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 126.22 26.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.044 -0.662 . . . . 21.7 109.507 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -77.59 107.89 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 23.36 110.239 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.9 -18.86 38.67 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.185 0.439 . . . . 19.14 112.185 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.816 ' HA2' ' H32' ' A' ' 100' ' ' IPA . . . 159.65 148.85 5.36 Favored Glycine 0 C--O 1.222 -0.609 0 N-CA-C 111.111 -0.796 . . . . 14.88 111.111 179.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.6 p -156.09 159.97 39.55 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.182 0.515 . . . . 19.46 111.918 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -144.78 155.08 43.33 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.034 -0.984 . . . . 30.4 110.234 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.25 -136.1 26.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.926 -0.654 . . . . 16.38 113.312 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -72.32 -16.61 61.89 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.908 0.707 . . . . 18.73 112.908 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.14 125.47 46.26 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.031 -0.668 . . . . 18.13 110.597 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . 0.885 ' H ' ' HD2' ' A' ' 41' ' ' HIS . 63.8 p -136.67 -172.38 3.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.988 -0.551 . . . . 33.11 112.144 -170.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.56 -38.79 56.01 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.842 0.682 . . . . 33.8 112.842 -173.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 133' ' ' HOH . 14.0 pt-20 -67.35 -14.89 63.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.425 0.898 . . . . 58.45 113.425 -175.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.885 ' HD2' ' H ' ' A' ' 38' ' ' SER . 72.5 m-70 -99.28 -10.62 22.13 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.794 1.035 . . . . 28.94 113.794 -175.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.17 89.12 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.49 0.922 . . . . 18.33 113.49 -171.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.94 -49.25 80.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.834 -0.698 . . . . 21.38 111.607 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 120' ' ' HOH . 57.5 t -59.8 -46.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.828 0.677 . . . . 27.47 112.828 178.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.0 mt -56.52 -44.79 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 111.737 0.273 . . . . 18.42 111.737 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.4 t -64.75 -43.81 92.12 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 111.831 0.308 . . . . 19.39 111.831 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.76 -43.19 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.115 -0.634 . . . . 21.28 111.2 178.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.6 mt -56.53 -47.11 80.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.061 0.458 . . . . 18.81 110.972 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.27 94.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 17.92 111.705 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.28 -38.91 78.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.125 -0.63 . . . . 30.98 111.899 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -66.21 -41.28 90.36 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.938 -0.705 . . . . 32.39 111.688 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.88 81.34 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.544 -0.462 . . . . 27.3 111.073 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 32.96 111.54 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.61 -20.49 66.01 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.378 0.51 . . . . 57.66 112.378 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 56' ' ' THR . 53.1 mt -88.79 27.9 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.889 0.7 . . . . 47.84 112.889 -179.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . 0.543 HG21 ' HG3' ' A' ' 63' ' ' PRO . 81.6 p -159.08 152.57 22.77 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.078 0.77 . . . . 79.57 113.078 176.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -111.74 145.29 39.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.644 -2.354 . . . . 96.12 104.644 163.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . 1.024 ' HB3' ' HA ' ' A' ' 59' ' ' PRO . 1.3 m-20 -59.73 -153.42 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 113.81 1.041 . . . . 105.44 113.81 -173.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . 1.024 ' HA ' ' HB3' ' A' ' 58' ' ' ASP . 24.1 Cg_exo -69.54 123.07 6.4 Favored 'Cis proline' 0 C--N 1.345 0.375 0 C-N-CA 130.715 1.548 . . . . 106.69 113.314 1.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . 0.793 ' N ' ' HB3' ' A' ' 58' ' ' ASP . 13.4 t 44.16 28.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.258 0.836 . . . . 101.72 113.258 176.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -86.99 64.32 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.509 -0.314 . . . . 58.1 110.855 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.84 115.41 48.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 66.07 111.087 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.543 ' HG3' HG21 ' A' ' 56' ' ' THR . 32.4 Cg_exo -66.01 136.99 46.85 Favored 'Trans proline' 0 C--N 1.345 0.352 0 O-C-N 122.595 0.787 . . . . 44.0 112.386 -179.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.884 HG11 ' CE ' ' A' ' 75' ' ' MET . 86.9 t -78.81 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 107.905 -1.146 . . . . 31.04 107.905 168.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t -106.56 128.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 110.076 -0.342 . . . . 22.76 110.076 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.477 ' HB2' ' CE ' ' A' ' 75' ' ' MET . 47.9 t -117.87 140.94 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 42.0 109.732 175.124 -173.313 0.0 0.0 0.0 0.0 0.0 0.0 -173.313 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.44 132.3 54.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 105.798 -1.927 . . . . 36.33 105.798 174.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.594 ' HG3' ' OD1' ' A' ' 73' ' ' ASN . 21.4 tt0 -128.83 134.13 48.23 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.437 -0.505 . . . . 75.49 111.409 177.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -152.75 -177.23 6.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.644 -0.873 . . . . 23.47 108.644 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.4 -27.55 56.69 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 112.813 0.672 . . . . 40.67 112.813 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -89.45 13.33 14.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 118.323 -1.351 . . . . 31.8 114.013 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.68 -155.73 16.13 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-O 122.188 0.882 . . . . 18.11 112.354 171.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.594 ' OD1' ' HG3' ' A' ' 68' ' ' GLU . 66.8 m-20 -130.98 143.4 50.7 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.314 -0.443 . . . . 37.24 110.74 -176.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.24 129.38 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 N-CA-C 106.902 -1.518 . . . . 20.11 106.902 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' MET . . . . . 0.884 ' CE ' HG11 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.39 127.9 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.393 -0.965 . . . . 73.21 108.393 176.879 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.9 mt -121.41 124.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.805 -0.443 . . . . 16.59 109.805 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 168' ' ' HOH . 65.9 tt0 -148.71 153.09 37.73 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 109.774 -0.454 . . . . 41.29 109.774 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -86.7 139.96 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.136 -0.626 . . . . 42.02 111.23 172.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.82 ' CD2' ' H21' ' A' ' 106' ' ' PG4 . 46.0 t60 -139.13 117.73 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.631 -0.877 . . . . 40.95 108.631 176.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 53.64 36.35 23.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.684 0.624 . . . . 45.04 112.684 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.41 -21.97 39.25 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.359 0.904 . . . . 30.72 115.359 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.3 pt -109.55 158.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 119.45 -0.9 . . . . 31.82 113.064 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . 0.733 ' HB ' HG22 ' A' ' 24' ' ' THR . 86.6 m -91.8 124.74 36.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 18.18 109.848 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.37 126.09 74.81 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 109.836 -0.431 . . . . 16.07 109.836 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.72 134.06 55.25 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.536 -0.913 . . . . 12.91 108.536 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.7 t -127.29 128.72 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 123.462 0.705 . . . . 15.27 109.369 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -107.3 122.95 47.59 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.403 0.681 . . . . 15.44 109.805 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -119.03 147.76 43.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.032 -0.729 . . . . 42.92 109.032 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 85.5 mmm -80.41 170.14 16.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 120.16 -0.616 . . . . 43.3 112.1 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 89' ' ' MET . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.681 -0.69 . . . . 84.17 109.866 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 998' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' IPA . . . . . 0.816 ' H32' ' HA2' ' A' ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PG4 . . . . . 0.82 ' H21' ' CD2' ' A' ' 79' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . 0.484 ' O ' ' HB2' ' A' ' 89' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . 0.52 ' O ' HG23 ' A' ' 44' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . 0.433 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . 0.635 ' O ' ' H11' ' A' ' 100' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . 0.472 ' O ' ' H12' ' A' ' 100' ' ' IPA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_