data_1an2_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 1an2 _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 ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.112 2 O4'-C1'-N19 116.01 10.262 . . . . 47.59 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.553 5.256 4 C4'-C3'-C2' 97.095 -6.105 . . . . 46.11 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.008 0 N19-C1'-C2' 109.029 -3.232 . . . . 38.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.654 6.095 4 O4'-C1'-N19 113.004 6.504 . . . . 37.78 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.228 1 O4'-C1'-C2' 101.582 -4.107 . . . . 49.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.147 3 O4'-C1'-N19 111.92 5.151 . . . . 35.52 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.429 " O4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.408 3 O4'-C1'-C2' 98.855 -6.586 . . . . 39.7 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.391 -2.234 1 C5'-C4'-C3' 108.423 -4.185 . . . . 29.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.504 -2.418 1 P-O5'-C5' 112.745 -5.097 . . . . 17.8 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.741 1 P-O3'-C3' 114.183 -4.598 . . . . 17.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.122 0 C5'-C4'-C3' 108.802 -3.932 . . . . 21.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.587 2 O4'-C1'-C2' 98.18 -7.2 . . . . 20.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.419 ' OP1' " C4'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.908 4 O4'-C1'-N19 113.517 7.147 . . . . 29.13 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.246 2 N19-C1'-C2' 107.179 -4.388 . . . . 27.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.628 1.713 5 P-O3'-C3' 131.059 9.466 . . . . 36.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.489 -2.808 3 O4'-C1'-N19 114.753 8.692 . . . . 39.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.366 2 O4'-C1'-C2' 99.501 -5.999 . . . . 32.17 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.435 3 P-O3'-C3' 126.938 6.032 . . . . 33.75 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.67 5.221 3 O4'-C1'-N19 115.981 10.226 . . . . 43.91 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.215 0 C5'-C4'-O4' 104.288 -3.195 . . . . 46.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.489 -2.784 0 O4'-C1'-C2' 109.31 2.918 . . . . 42.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.648 5.526 1 O4'-C1'-C2' 100.745 -4.868 . . . . 30.15 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.178 0 N-CA-C 112.284 0.476 . . . . 43.38 112.284 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -59.63 105.87 0.41 Allowed 'General case' 0 C--O 1.241 0.657 0 N-CA-C 103.885 -2.635 . . . . 36.54 103.885 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 -4.34 4.67 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 103.889 -2.634 . . . . 44.68 103.889 174.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' HIS . 86.5 mtt180 -98.11 -78.2 0.49 Allowed 'General case' 0 N--CA 1.433 -1.29 1 N-CA-C 92.161 -6.977 . . . . 55.2 92.161 175.119 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -17.28 -88.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 118.191 2.663 . . . . 27.71 118.191 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -46.98 -19.02 0.09 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.997 1.11 . . . . 49.45 113.997 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.6 t60 -86.04 -68.38 0.74 Allowed 'General case' 0 C--O 1.241 0.646 0 N-CA-C 106.257 -1.757 . . . . 28.32 106.257 176.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.45 -24.55 0.11 Allowed 'General case' 0 CA--C 1.494 -1.188 0 O-C-N 122.239 -0.288 . . . . 40.91 110.618 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' HIS . . . -89.35 -34.88 16.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 123.863 0.727 . . . . 25.7 110.321 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' HIS . 4.9 mt -60.59 -49.51 77.25 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 107.053 -1.462 . . . . 18.45 107.053 179.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.96 -14.68 55.72 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.765 1.024 . . . . 17.04 113.765 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -89.6 -18.18 27.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 117.138 -1.825 . . . . 23.89 110.731 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -85.26 -34.84 21.87 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 105.739 -1.948 . . . . 31.04 105.739 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -66.69 0.51 Allowed 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 103.639 -2.726 . . . . 23.42 103.639 179.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -42.33 -41.91 2.98 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 117.797 2.517 . . . . 28.71 117.797 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.77 -52.0 67.56 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 105.099 -2.186 . . . . 35.35 105.099 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -44.39 -22.92 0.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.68 -1.146 . . . . 37.12 113.324 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' ASP . 11.7 mm -91.18 -66.21 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 N-CA-C 105.0 -2.222 . . . . 13.97 105.0 177.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -38.61 -26.24 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.557 0.947 . . . . 32.77 113.557 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ILE . 78.4 m-20 -90.6 -62.25 1.5 Allowed 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 104.211 -2.514 . . . . 20.57 104.211 176.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -59.96 2.87 0.07 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 118.286 -1.366 . . . . 27.05 114.535 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -88.21 -47.61 8.32 Favored 'General case' 0 CA--C 1.489 -1.4 0 O-C-N 121.785 -0.572 . . . . 36.28 111.452 178.008 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -64.48 -29.02 70.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.771 -1.196 . . . . 52.92 107.771 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.9 m -56.37 -36.53 68.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 104.684 -2.339 . . . . 31.13 104.684 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -61.39 1.84 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.559 -0.856 . . . . 29.51 110.274 175.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -45.74 -65.28 0.57 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 116.624 2.083 . . . . 36.15 116.624 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -55.47 -26.25 41.41 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 106.079 -1.823 . . . . 32.66 106.079 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -71.81 24.37 0.05 OUTLIER 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.641 -0.823 . . . . 29.46 109.276 177.272 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -155.35 145.03 15.43 Favored Pre-proline 0 CA--C 1.513 -0.48 0 CA-C-O 121.44 0.638 . . . . 33.93 110.619 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 52' ' ' SER . 26.7 Cg_endo -97.15 152.3 1.02 Allowed 'Trans proline' 0 CA--C 1.536 0.594 1 N-CA-C 100.138 -4.601 . . . . 36.46 100.138 178.958 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 22.9 p 97.93 31.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.211 1.005 . . . . 27.61 109.493 -178.061 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 mt -144.99 -5.67 0.69 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.757 -1.571 . . . . 41.34 106.757 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 36.68 61.49 0.84 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.789 -1.096 . . . . 59.12 112.78 -179.025 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 28.44 40.96 0.02 OUTLIER Glycine 0 C--O 1.243 0.662 0 N-CA-C 116.197 1.239 . . . . 48.65 116.197 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' GLN . 2.5 mt-10 -160.04 141.16 12.37 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 119.59 3.181 . . . . 45.66 119.59 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt 30.61 -152.98 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 117.84 2.533 . . . . 42.45 117.84 179.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 85.21 123.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.486 1.115 . . . . 36.22 112.165 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -27.63 151.41 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 115.313 1.597 . . . . 34.72 115.313 -178.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -93.98 27.15 2.89 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 102.997 -2.964 . . . . 33.36 102.997 176.868 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.54 -24.26 7.37 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 104.276 -2.491 . . . . 31.24 104.276 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -22.67 16.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.238 1.015 . . . . 47.3 110.599 -179.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.81 -26.92 41.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 100.748 -3.797 . . . . 35.7 100.748 176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.32 -58.07 3.4 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 103.23 -2.878 . . . . 37.92 103.23 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.3 m-20 -41.53 -81.64 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.756 -0.461 . . . . 33.69 109.756 -179.093 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' ASP . 14.7 mmmt -36.56 -64.89 0.31 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.546 -0.752 . . . . 36.36 112.993 -177.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.57 -30.24 65.08 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 118.156 -1.418 . . . . 36.91 112.12 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -63.47 -23.72 67.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 117.875 -1.53 . . . . 27.61 111.27 -178.226 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -38.97 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.729 -1.582 . . . . 42.86 106.729 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TYR . . . . . 0.438 ' OH ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -49.93 -31.16 11.7 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.954 -1.021 . . . . 35.35 112.009 -178.513 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.61 -46.63 61.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 116.96 -1.896 . . . . 51.94 106.349 177.645 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -48.01 -48.35 32.76 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.772 -1.936 . . . . 37.32 105.772 178.622 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' CE1' ' NH1' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -58.87 -53.29 60.04 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.289 1.589 . . . . 42.76 115.289 -178.811 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.32 -36.94 85.74 Favored 'General case' 0 CA--C 1.472 -2.028 0 C-N-CA 118.469 -1.292 . . . . 44.27 112.676 -177.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -65.81 -54.06 31.92 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 105.451 -2.055 . . . . 58.4 105.451 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . 0.441 ' NH1' ' CE1' ' A' ' 73' ' ' TYR . 4.4 ttt180 -46.77 -90.49 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.776 1.63 . . . . 55.9 107.556 177.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -37.75 -47.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.909 1.448 . . . . 47.07 114.909 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 79' ' ' HIS . 3.0 m-20 -64.49 -72.06 0.16 Allowed 'General case' 0 C--O 1.249 1.079 0 N-CA-C 115.534 1.679 . . . . 45.04 115.534 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' ASN . 13.2 t-160 -29.71 -56.09 0.16 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.228 0.455 . . . . 60.75 112.228 -177.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 83' ' ' GLN . 1.0 OUTLIER -56.53 -73.16 0.07 Allowed 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 103.85 -2.648 . . . . 37.19 103.85 179.541 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 80' ' ' THR . 59.4 t60 -37.64 -40.15 0.39 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 117.622 2.453 . . . . 43.47 117.622 -176.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -70.19 -40.34 74.69 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 116.649 -2.021 . . . . 35.44 106.688 179.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 80' ' ' THR . 1.0 OUTLIER -58.23 -34.38 70.36 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.589 0.756 . . . . 38.47 110.809 179.12 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 12.7 m-20 -73.25 -16.06 61.41 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.133 -0.94 . . . . 38.42 108.982 177.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 tt -76.05 -36.76 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 1 N-CA-C 99.064 -4.421 . . . . 49.12 99.064 174.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -72.81 -22.39 60.82 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.665 1.728 . . . . 47.51 115.665 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -13.38 48.69 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 103.532 -2.766 . . . . 59.12 103.532 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 7.2 mp -81.63 -24.79 36.15 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 100.587 -3.857 . . . . 42.18 100.587 176.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -64.45 0.86 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.774 -0.825 . . . . 46.65 108.774 178.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -30.4 65.85 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.696 -0.483 . . . . 48.08 109.696 178.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -50.02 73.3 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 104.627 -2.36 . . . . 62.78 104.627 178.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.57 -4.89 33.43 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 123.662 0.601 . . . . 43.43 111.953 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' GLU . . . -79.01 -50.04 11.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 105.572 -2.01 . . . . 39.82 105.572 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -40.49 75.08 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 102.96 -2.978 . . . . 42.49 102.96 179.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -55.22 -42.47 73.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.529 -1.285 . . . . 59.49 107.529 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' ALA . 42.5 mt-10 -50.53 -61.12 2.38 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.865 -1.161 . . . . 57.66 107.865 178.311 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -46.07 -50.25 15.46 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.626 -1.25 . . . . 75.31 107.626 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.15 -43.73 42.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.801 -0.814 . . . . 45.34 108.801 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -39.45 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.751 -0.659 . . . . 57.72 110.561 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -60.5 -24.35 65.23 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.144 -0.935 . . . . 74.67 108.829 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.49 -67.68 0.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.375 -0.972 . . . . 57.2 108.375 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CG ' ' N ' ' A' ' 103' ' ' GLU . 4.5 tp 7.72 -67.98 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 121.132 3.752 . . . . 46.06 121.132 178.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 102' ' ' LEU . 15.3 pt-20 -155.07 161.4 41.32 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.431 0.692 . . . . 53.95 109.541 -176.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -117.87 -5.73 11.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 118.963 -1.095 . . . . 44.68 108.788 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.46 -7.71 0.88 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 117.251 2.315 . . . . 42.22 117.251 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.73 -141.77 0.1 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.936 1.828 . . . . 48.53 115.936 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 C--O 1.254 1.318 0 CA-C-O 116.917 -1.516 . . . . 54.18 111.106 -179.952 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 " H2'" ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.552 5.112 2 O4'-C1'-N19 116.01 10.262 . . . . 47.59 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DT' . . . . . 0.812 ' H72' " H2'" ' B' ' 1' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.553 5.256 4 C4'-C3'-C2' 97.095 -6.105 . . . . 46.11 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DG' . . . . . 0.82 H5'' ' H8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 1 P--O5' 1.633 4.008 0 N19-C1'-C2' 109.029 -3.232 . . . . 38.52 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DT' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 3' ' ' ' DG' . . . . . . . . 1 P--O5' 1.654 6.095 4 O4'-C1'-N19 113.004 6.504 . . . . 37.78 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DA' . . . . . 0.536 H2'' ' C8 ' ' B' ' 6' ' ' ' DG' . . . . . . . . 0 P--O5' 1.625 3.228 1 O4'-C1'-C2' 101.582 -4.107 . . . . 49.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DG' . . . . . 0.556 H2'' ' H8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.147 3 O4'-C1'-N19 111.92 5.151 . . . . 35.52 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DG' . . . . . 0.556 ' H8 ' H2'' ' B' ' 6' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.408 3 O4'-C1'-C2' 98.855 -6.586 . . . . 39.7 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DT' . . . . . 0.414 H2'' " O5'" ' B' ' 9' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.391 -2.234 1 C5'-C4'-C3' 108.423 -4.185 . . . . 29.76 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DC' . . . . . 0.414 " O5'" H2'' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.504 -2.418 1 P-O5'-C5' 112.745 -5.097 . . . . 17.8 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DA' . . . . . 0.438 " H2'" " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.545 2.741 1 P-O3'-C3' 114.183 -4.598 . . . . 17.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.122 0 C5'-C4'-C3' 108.802 -3.932 . . . . 21.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.587 2 O4'-C1'-C2' 98.18 -7.2 . . . . 20.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ' DT' . . . . . 0.689 ' OP1' " H4'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.908 4 O4'-C1'-N19 113.517 7.147 . . . . 29.13 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ' DG' . . . . . 0.623 H2'' " O5'" ' B' ' 15' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.55 2.246 2 N19-C1'-C2' 107.179 -4.388 . . . . 27.4 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ' DA' . . . . . 0.623 " O5'" H2'' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 P--O3' 1.628 1.713 5 P-O3'-C3' 131.059 9.466 . . . . 36.28 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' B' ' 15' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.489 -2.808 3 O4'-C1'-N19 114.753 8.692 . . . . 39.32 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ' DC' . . . . . 0.526 H2'' H5'' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 P--O3' 1.635 2.366 2 O4'-C1'-C2' 99.501 -5.999 . . . . 32.17 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ' DT' . . . . . 0.526 H5'' H2'' ' B' ' 17' ' ' ' DC' . . . . . . . . 1 C4'--C3' 1.572 4.435 3 P-O3'-C3' 126.938 6.032 . . . . 33.75 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ' DA' . . . . . 0.432 " H4'" ' OP1' ' B' ' 20' ' ' ' DC' . . . . . . . . 1 P--O3' 1.67 5.221 3 O4'-C1'-N19 115.981 10.226 . . . . 43.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ' DC' . . . . . 0.432 ' OP1' " H4'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.54 2.215 0 C5'-C4'-O4' 104.288 -3.195 . . . . 46.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ' DA' . . . . . 0.654 " H3'" H5'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.489 -2.784 0 O4'-C1'-C2' 109.31 2.918 . . . . 42.1 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ' DC' . . . . . 0.654 H5'' " H3'" ' B' ' 21' ' ' ' DA' . . . . . . . . 1 P--O5' 1.648 5.526 1 O4'-C1'-C2' 100.745 -4.868 . . . . 30.15 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.178 0 N-CA-C 112.284 0.476 . . . . 43.38 112.284 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . 1.009 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 29.0 m-20 -59.63 105.87 0.41 Allowed 'General case' 0 C--O 1.241 0.657 0 N-CA-C 103.885 -2.635 . . . . 36.54 103.885 177.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -129.72 -4.34 4.67 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 103.889 -2.634 . . . . 44.68 103.889 174.816 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -98.11 -78.2 0.49 Allowed 'General case' 0 N--CA 1.433 -1.29 1 N-CA-C 92.161 -6.977 . . . . 55.2 92.161 175.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -17.28 -88.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 118.191 2.663 . . . . 27.71 118.191 -178.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -46.98 -19.02 0.09 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.997 1.11 . . . . 49.45 113.997 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.6 t60 -86.04 -68.38 0.74 Allowed 'General case' 0 C--O 1.241 0.646 0 N-CA-C 106.257 -1.757 . . . . 28.32 106.257 176.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -43.45 -24.55 0.11 Allowed 'General case' 0 CA--C 1.494 -1.188 0 O-C-N 122.239 -0.288 . . . . 40.91 110.618 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' HIS . . . -89.35 -34.88 16.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 123.863 0.727 . . . . 25.7 110.321 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' HIS . 4.9 mt -60.59 -49.51 77.25 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 107.053 -1.462 . . . . 18.45 107.053 179.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HG3' ' O4 ' ' B' ' 13' ' ' ' DT' . 1.5 mm-40 -63.96 -14.68 55.72 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.765 1.024 . . . . 17.04 113.765 179.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -89.6 -18.18 27.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 117.138 -1.825 . . . . 23.89 110.731 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -85.26 -34.84 21.87 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 105.739 -1.948 . . . . 31.04 105.739 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -66.69 0.51 Allowed 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 103.639 -2.726 . . . . 23.42 103.639 179.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -42.33 -41.91 2.98 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 117.797 2.517 . . . . 28.71 117.797 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.77 -52.0 67.56 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 105.099 -2.186 . . . . 35.35 105.099 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -44.39 -22.92 0.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.68 -1.146 . . . . 37.12 113.324 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . 0.642 HG22 ' HD2' ' A' ' 43' ' ' PHE . 11.7 mm -91.18 -66.21 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 N-CA-C 105.0 -2.222 . . . . 13.97 105.0 177.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.73 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 1.9 ttpt -38.61 -26.24 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.557 0.947 . . . . 32.77 113.557 179.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . 0.544 ' OD1' ' HE3' ' A' ' 40' ' ' LYS . 78.4 m-20 -90.6 -62.25 1.5 Allowed 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 104.211 -2.514 . . . . 20.57 104.211 176.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -59.96 2.87 0.07 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 118.286 -1.366 . . . . 27.05 114.535 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . 0.642 ' HD2' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -88.21 -47.61 8.32 Favored 'General case' 0 CA--C 1.489 -1.4 0 O-C-N 121.785 -0.572 . . . . 36.28 111.452 178.008 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -64.48 -29.02 70.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.771 -1.196 . . . . 52.92 107.771 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 49' ' ' SER . 55.9 m -56.37 -36.53 68.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 104.684 -2.339 . . . . 31.13 104.684 177.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.0 OUTLIER -73.21 -61.39 1.84 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.559 -0.856 . . . . 29.51 110.274 175.407 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . 1.004 ' HG3' HD13 ' A' ' 53' ' ' LEU . 10.8 ttp180 -45.74 -65.28 0.57 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 116.624 2.083 . . . . 36.15 116.624 -179.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 50' ' ' VAL . 57.8 m-20 -55.47 -26.25 41.41 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 106.079 -1.823 . . . . 32.66 106.079 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.81 24.37 0.05 OUTLIER 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.641 -0.823 . . . . 29.46 109.276 177.272 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -155.35 145.03 15.43 Favored Pre-proline 0 CA--C 1.513 -0.48 0 CA-C-O 121.44 0.638 . . . . 33.93 110.619 178.263 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . 0.768 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 26.7 Cg_endo -97.15 152.3 1.02 Allowed 'Trans proline' 0 CA--C 1.536 0.594 1 N-CA-C 100.138 -4.601 . . . . 36.46 100.138 178.958 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 22.9 p 97.93 31.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.211 1.005 . . . . 27.61 109.493 -178.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 1.004 HD13 ' HG3' ' A' ' 47' ' ' ARG . 18.2 mt -144.99 -5.67 0.69 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.757 -1.571 . . . . 41.34 106.757 177.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLN . . . . . 0.76 ' HG2' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 36.68 61.49 0.84 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.789 -1.096 . . . . 59.12 112.78 -179.025 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . 28.44 40.96 0.02 OUTLIER Glycine 0 C--O 1.243 0.662 0 N-CA-C 116.197 1.239 . . . . 48.65 116.197 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 2.5 mt-10 -160.04 141.16 12.37 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 119.59 3.181 . . . . 45.66 119.59 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.8 ptpt 30.61 -152.98 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 117.84 2.533 . . . . 42.45 117.84 179.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 57' ' ' LYS . . . 85.21 123.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.486 1.115 . . . . 36.22 112.165 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -27.63 151.41 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 115.313 1.597 . . . . 34.72 115.313 -178.52 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . 0.725 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -93.98 27.15 2.89 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 102.997 -2.964 . . . . 33.36 102.997 176.868 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 59' ' ' SER . . . -117.54 -24.26 7.37 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 104.276 -2.491 . . . . 31.24 104.276 177.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -22.67 16.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.238 1.015 . . . . 47.3 110.599 -179.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 59' ' ' SER . 7.8 mt -64.81 -26.92 41.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 100.748 -3.797 . . . . 35.7 100.748 176.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.32 -58.07 3.4 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 103.23 -2.878 . . . . 37.92 103.23 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 68' ' ' THR . 77.3 m-20 -41.53 -81.64 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.756 -0.461 . . . . 33.69 109.756 -179.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' ASP . 14.7 mmmt -36.56 -64.89 0.31 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.546 -0.752 . . . . 36.36 112.993 -177.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.57 -30.24 65.08 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 118.156 -1.418 . . . . 36.91 112.12 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -63.47 -23.72 67.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 117.875 -1.53 . . . . 27.61 111.27 -178.226 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -38.97 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.729 -1.582 . . . . 42.86 106.729 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TYR . . . . . 0.768 ' CE2' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -49.93 -31.16 11.7 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.954 -1.021 . . . . 35.35 112.009 -178.513 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.61 -46.63 61.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 116.96 -1.896 . . . . 51.94 106.349 177.645 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -48.01 -48.35 32.76 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.772 -1.936 . . . . 37.32 105.772 178.622 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.705 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.87 -53.29 60.04 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.289 1.589 . . . . 42.76 115.289 -178.811 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . 0.812 ' O ' ' HB2' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -64.32 -36.94 85.74 Favored 'General case' 0 CA--C 1.472 -2.028 0 C-N-CA 118.469 -1.292 . . . . 44.27 112.676 -177.385 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -65.81 -54.06 31.92 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 105.451 -2.055 . . . . 58.4 105.451 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . 0.441 ' NH1' ' CE1' ' A' ' 73' ' ' TYR . 4.4 ttt180 -46.77 -90.49 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.776 1.63 . . . . 55.9 107.556 177.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -37.75 -47.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.909 1.448 . . . . 47.07 114.909 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . 0.812 ' HB2' ' O ' ' A' ' 74' ' ' MET . 3.0 m-20 -64.49 -72.06 0.16 Allowed 'General case' 0 C--O 1.249 1.079 0 N-CA-C 115.534 1.679 . . . . 45.04 115.534 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' ASN . 13.2 t-160 -29.71 -56.09 0.16 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.228 0.455 . . . . 60.75 112.228 -177.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . 0.691 HG22 ' N ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER -56.53 -73.16 0.07 Allowed 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 103.85 -2.648 . . . . 37.19 103.85 179.541 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.691 ' N ' HG22 ' A' ' 80' ' ' THR . 59.4 t60 -37.64 -40.15 0.39 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 117.622 2.453 . . . . 43.47 117.622 -176.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 85' ' ' ILE . 40.1 mm-40 -70.19 -40.34 74.69 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 116.649 -2.021 . . . . 35.44 106.688 179.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 80' ' ' THR . 1.0 OUTLIER -58.23 -34.38 70.36 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.589 0.756 . . . . 38.47 110.809 179.12 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . 0.925 ' O ' HD13 ' A' ' 88' ' ' LEU . 12.7 m-20 -73.25 -16.06 61.41 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.133 -0.94 . . . . 38.42 108.982 177.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 7.3 tt -76.05 -36.76 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 1 N-CA-C 99.064 -4.421 . . . . 49.12 99.064 174.708 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 89' ' ' LYS . 23.1 m-20 -72.81 -22.39 60.82 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.665 1.728 . . . . 47.51 115.665 -179.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -85.68 -13.38 48.69 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 103.532 -2.766 . . . . 59.12 103.532 175.838 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . 0.925 HD13 ' O ' ' A' ' 84' ' ' ASP . 7.2 mp -81.63 -24.79 36.15 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 100.587 -3.857 . . . . 42.18 100.587 176.708 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -65.24 -64.45 0.86 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.774 -0.825 . . . . 46.65 108.774 178.488 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . 0.696 ' HB2' HH11 ' A' ' 90' ' ' ARG . 0.0 OUTLIER -57.9 -30.4 65.85 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.696 -0.483 . . . . 48.08 109.696 178.942 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 1.1 tm0? -56.64 -50.02 73.3 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 104.627 -2.36 . . . . 62.78 104.627 178.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.57 -4.89 33.43 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 123.662 0.601 . . . . 43.43 111.953 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' A' ' 96' ' ' GLU . . . -79.01 -50.04 11.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 105.572 -2.01 . . . . 39.82 105.572 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -56.51 -40.49 75.08 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 102.96 -2.978 . . . . 42.49 102.96 179.431 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -55.22 -42.47 73.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.529 -1.285 . . . . 59.49 107.529 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . 0.736 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 42.5 mt-10 -50.53 -61.12 2.38 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.865 -1.161 . . . . 57.66 107.865 178.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -46.07 -50.25 15.46 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.626 -1.25 . . . . 75.31 107.626 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.15 -43.73 42.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.801 -0.814 . . . . 45.34 108.801 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . 0.611 HG12 ' HD2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -69.84 -39.45 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.751 -0.659 . . . . 57.72 110.561 179.766 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.736 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 3.3 mpt_? -60.5 -24.35 65.23 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.144 -0.935 . . . . 74.67 108.829 179.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.49 -67.68 0.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.375 -0.972 . . . . 57.2 108.375 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . 0.68 ' HG ' ' N ' ' A' ' 103' ' ' GLU . 4.5 tp 7.72 -67.98 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 121.132 3.752 . . . . 46.06 121.132 178.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . 0.68 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 15.3 pt-20 -155.07 161.4 41.32 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.431 0.692 . . . . 53.95 109.541 -176.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -117.87 -5.73 11.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 118.963 -1.095 . . . . 44.68 108.788 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.46 -7.71 0.88 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 117.251 2.315 . . . . 42.22 117.251 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.73 -141.77 0.1 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.936 1.828 . . . . 48.53 115.936 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 C--O 1.254 1.318 0 CA-C-O 116.917 -1.516 . . . . 54.18 111.106 -179.952 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 " H2'" ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.552 5.112 2 O4'-C1'-N19 116.01 10.262 . . . . 47.59 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.812 ' H72' " H2'" ' B' ' 1' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.553 5.256 4 C4'-C3'-C2' 97.095 -6.105 . . . . 46.11 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.82 H5'' ' H8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 1 P--O5' 1.633 4.008 0 N19-C1'-C2' 109.029 -3.232 . . . . 38.52 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 3' ' ' ' DG' . . . . . . . . 1 P--O5' 1.654 6.095 4 O4'-C1'-N19 113.004 6.504 . . . . 37.78 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.536 H2'' ' C8 ' ' B' ' 6' ' ' ' DG' . . . . . . . . 0 P--O5' 1.625 3.228 1 O4'-C1'-C2' 101.582 -4.107 . . . . 49.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.556 H2'' ' H8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.147 3 O4'-C1'-N19 111.92 5.151 . . . . 35.52 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.556 ' H8 ' H2'' ' B' ' 6' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.408 3 O4'-C1'-C2' 98.855 -6.586 . . . . 39.7 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.414 H2'' " O5'" ' B' ' 9' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.391 -2.234 1 C5'-C4'-C3' 108.423 -4.185 . . . . 29.76 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DC' . . . . . 0.414 " O5'" H2'' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.504 -2.418 1 P-O5'-C5' 112.745 -5.097 . . . . 17.8 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.438 " H2'" " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.545 2.741 1 P-O3'-C3' 114.183 -4.598 . . . . 17.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.122 0 C5'-C4'-C3' 108.802 -3.932 . . . . 21.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.587 2 O4'-C1'-C2' 98.18 -7.2 . . . . 20.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.689 ' OP1' " H4'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.908 4 O4'-C1'-N19 113.517 7.147 . . . . 29.13 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.623 H2'' " O5'" ' B' ' 15' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.55 2.246 2 N19-C1'-C2' 107.179 -4.388 . . . . 27.4 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ' DA' . . . . . 0.623 " O5'" H2'' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 P--O3' 1.628 1.713 5 P-O3'-C3' 131.059 9.466 . . . . 36.28 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' B' ' 15' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.489 -2.808 3 O4'-C1'-N19 114.753 8.692 . . . . 39.32 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ' DC' . . . . . 0.526 H2'' H5'' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 P--O3' 1.635 2.366 2 O4'-C1'-C2' 99.501 -5.999 . . . . 32.17 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 0.526 H5'' H2'' ' B' ' 17' ' ' ' DC' . . . . . . . . 1 C4'--C3' 1.572 4.435 3 P-O3'-C3' 126.938 6.032 . . . . 33.75 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.432 " H4'" ' OP1' ' B' ' 20' ' ' ' DC' . . . . . . . . 1 P--O3' 1.67 5.221 3 O4'-C1'-N19 115.981 10.226 . . . . 43.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ' DC' . . . . . 0.432 ' OP1' " H4'" ' B' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.54 2.215 0 C5'-C4'-O4' 104.288 -3.195 . . . . 46.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ' DA' . . . . . 0.654 " H3'" H5'' ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.489 -2.784 0 O4'-C1'-C2' 109.31 2.918 . . . . 42.1 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.654 H5'' " H3'" ' B' ' 21' ' ' ' DA' . . . . . . . . 1 P--O5' 1.648 5.526 1 O4'-C1'-C2' 100.745 -4.868 . . . . 30.15 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.178 0 N-CA-C 112.284 0.476 . . . . 43.38 112.284 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . 1.009 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 29.0 m-20 -59.63 105.87 0.41 Allowed 'General case' 0 C--O 1.241 0.657 0 N-CA-C 103.885 -2.635 . . . . 36.54 103.885 177.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -129.72 -4.34 4.67 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 103.889 -2.634 . . . . 44.68 103.889 174.816 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -98.11 -78.2 0.49 Allowed 'General case' 0 N--CA 1.433 -1.29 1 N-CA-C 92.161 -6.977 . . . . 55.2 92.161 175.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -17.28 -88.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 118.191 2.663 . . . . 27.71 118.191 -178.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -46.98 -19.02 0.09 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.997 1.11 . . . . 49.45 113.997 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.588 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.6 t60 -86.04 -68.38 0.74 Allowed 'General case' 0 C--O 1.241 0.646 0 N-CA-C 106.257 -1.757 . . . . 28.32 106.257 176.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.45 -24.55 0.11 Allowed 'General case' 0 CA--C 1.494 -1.188 0 O-C-N 122.239 -0.288 . . . . 40.91 110.618 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' HIS . . . -89.35 -34.88 16.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 123.863 0.727 . . . . 25.7 110.321 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' HIS . 4.9 mt -60.59 -49.51 77.25 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 107.053 -1.462 . . . . 18.45 107.053 179.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HG3' ' O4 ' ' B' ' 13' ' ' ' DT' . 1.5 mm-40 -63.96 -14.68 55.72 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.765 1.024 . . . . 17.04 113.765 179.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -89.6 -18.18 27.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 117.138 -1.825 . . . . 23.89 110.731 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -85.26 -34.84 21.87 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 105.739 -1.948 . . . . 31.04 105.739 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -66.69 0.51 Allowed 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 103.639 -2.726 . . . . 23.42 103.639 179.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -42.33 -41.91 2.98 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 117.797 2.517 . . . . 28.71 117.797 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.77 -52.0 67.56 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 105.099 -2.186 . . . . 35.35 105.099 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -44.39 -22.92 0.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.68 -1.146 . . . . 37.12 113.324 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.642 HG22 ' HD2' ' A' ' 43' ' ' PHE . 11.7 mm -91.18 -66.21 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 N-CA-C 105.0 -2.222 . . . . 13.97 105.0 177.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.73 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 1.9 ttpt -38.61 -26.24 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.557 0.947 . . . . 32.77 113.557 179.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.544 ' OD1' ' HE3' ' A' ' 40' ' ' LYS . 78.4 m-20 -90.6 -62.25 1.5 Allowed 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 104.211 -2.514 . . . . 20.57 104.211 176.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.7 m -59.96 2.87 0.07 Allowed 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 118.286 -1.366 . . . . 27.05 114.535 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.642 ' HD2' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -88.21 -47.61 8.32 Favored 'General case' 0 CA--C 1.489 -1.4 0 O-C-N 121.785 -0.572 . . . . 36.28 111.452 178.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -64.48 -29.02 70.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.771 -1.196 . . . . 52.92 107.771 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 49' ' ' SER . 55.9 m -56.37 -36.53 68.93 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 104.684 -2.339 . . . . 31.13 104.684 177.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.0 OUTLIER -73.21 -61.39 1.84 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.559 -0.856 . . . . 29.51 110.274 175.407 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . 1.004 ' HG3' HD13 ' A' ' 53' ' ' LEU . 10.8 ttp180 -45.74 -65.28 0.57 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 116.624 2.083 . . . . 36.15 116.624 -179.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 50' ' ' VAL . 57.8 m-20 -55.47 -26.25 41.41 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 106.079 -1.823 . . . . 32.66 106.079 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -71.81 24.37 0.05 OUTLIER 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.641 -0.823 . . . . 29.46 109.276 177.272 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -155.35 145.03 15.43 Favored Pre-proline 0 CA--C 1.513 -0.48 0 CA-C-O 121.44 0.638 . . . . 33.93 110.619 178.263 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.768 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 26.7 Cg_endo -97.15 152.3 1.02 Allowed 'Trans proline' 0 CA--C 1.536 0.594 1 N-CA-C 100.138 -4.601 . . . . 36.46 100.138 178.958 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 22.9 p 97.93 31.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.211 1.005 . . . . 27.61 109.493 -178.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.004 HD13 ' HG3' ' A' ' 47' ' ' ARG . 18.2 mt -144.99 -5.67 0.69 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.757 -1.571 . . . . 41.34 106.757 177.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.76 ' HG2' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 36.68 61.49 0.84 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.789 -1.096 . . . . 59.12 112.78 -179.025 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . 28.44 40.96 0.02 OUTLIER Glycine 0 C--O 1.243 0.662 0 N-CA-C 116.197 1.239 . . . . 48.65 116.197 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 55' ' ' GLY . 2.5 mt-10 -160.04 141.16 12.37 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 119.59 3.181 . . . . 45.66 119.59 179.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.8 ptpt 30.61 -152.98 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 117.84 2.533 . . . . 42.45 117.84 179.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 57' ' ' LYS . . . 85.21 123.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.486 1.115 . . . . 36.22 112.165 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -27.63 151.41 0.0 OUTLIER 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 115.313 1.597 . . . . 34.72 115.313 -178.52 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.725 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -93.98 27.15 2.89 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 102.997 -2.964 . . . . 33.36 102.997 176.868 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 59' ' ' SER . . . -117.54 -24.26 7.37 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 104.276 -2.491 . . . . 31.24 104.276 177.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -22.67 16.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.238 1.015 . . . . 47.3 110.599 -179.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 59' ' ' SER . 7.8 mt -64.81 -26.92 41.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 100.748 -3.797 . . . . 35.7 100.748 176.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.32 -58.07 3.4 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 103.23 -2.878 . . . . 37.92 103.23 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 68' ' ' THR . 77.3 m-20 -41.53 -81.64 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 109.756 -0.461 . . . . 33.69 109.756 -179.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' ASP . 14.7 mmmt -36.56 -64.89 0.31 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.546 -0.752 . . . . 36.36 112.993 -177.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.57 -30.24 65.08 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 118.156 -1.418 . . . . 36.91 112.12 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -63.47 -23.72 67.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 117.875 -1.53 . . . . 27.61 111.27 -178.226 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -38.97 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.729 -1.582 . . . . 42.86 106.729 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.768 ' CE2' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -49.93 -31.16 11.7 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.954 -1.021 . . . . 35.35 112.009 -178.513 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -71.61 -46.63 61.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 116.96 -1.896 . . . . 51.94 106.349 177.645 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -48.01 -48.35 32.76 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.772 -1.936 . . . . 37.32 105.772 178.622 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.705 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 0.1 OUTLIER -58.87 -53.29 60.04 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.289 1.589 . . . . 42.76 115.289 -178.811 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . 0.812 ' O ' ' HB2' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -64.32 -36.94 85.74 Favored 'General case' 0 CA--C 1.472 -2.028 0 C-N-CA 118.469 -1.292 . . . . 44.27 112.676 -177.385 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -65.81 -54.06 31.92 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 105.451 -2.055 . . . . 58.4 105.451 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.441 ' NH1' ' CE1' ' A' ' 73' ' ' TYR . 4.4 ttt180 -46.77 -90.49 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.776 1.63 . . . . 55.9 107.556 177.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -37.75 -47.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.909 1.448 . . . . 47.07 114.909 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.812 ' HB2' ' O ' ' A' ' 74' ' ' MET . 3.0 m-20 -64.49 -72.06 0.16 Allowed 'General case' 0 C--O 1.249 1.079 0 N-CA-C 115.534 1.679 . . . . 45.04 115.534 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 78' ' ' ASN . 13.2 t-160 -29.71 -56.09 0.16 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.228 0.455 . . . . 60.75 112.228 -177.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . 0.691 HG22 ' N ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER -56.53 -73.16 0.07 Allowed 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 103.85 -2.648 . . . . 37.19 103.85 179.541 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.691 ' N ' HG22 ' A' ' 80' ' ' THR . 59.4 t60 -37.64 -40.15 0.39 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 117.622 2.453 . . . . 43.47 117.622 -176.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 85' ' ' ILE . 40.1 mm-40 -70.19 -40.34 74.69 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 116.649 -2.021 . . . . 35.44 106.688 179.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 80' ' ' THR . 1.0 OUTLIER -58.23 -34.38 70.36 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.589 0.756 . . . . 38.47 110.809 179.12 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.925 ' O ' HD13 ' A' ' 88' ' ' LEU . 12.7 m-20 -73.25 -16.06 61.41 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.133 -0.94 . . . . 38.42 108.982 177.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 7.3 tt -76.05 -36.76 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 1 N-CA-C 99.064 -4.421 . . . . 49.12 99.064 174.708 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 89' ' ' LYS . 23.1 m-20 -72.81 -22.39 60.82 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.665 1.728 . . . . 47.51 115.665 -179.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -85.68 -13.38 48.69 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 103.532 -2.766 . . . . 59.12 103.532 175.838 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.925 HD13 ' O ' ' A' ' 84' ' ' ASP . 7.2 mp -81.63 -24.79 36.15 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 100.587 -3.857 . . . . 42.18 100.587 176.708 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -65.24 -64.45 0.86 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.774 -0.825 . . . . 46.65 108.774 178.488 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.696 ' HB2' HH11 ' A' ' 90' ' ' ARG . 0.0 OUTLIER -57.9 -30.4 65.85 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.696 -0.483 . . . . 48.08 109.696 178.942 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.505 ' C ' HE21 ' A' ' 91' ' ' GLN . 0.0 OUTLIER -56.64 -50.02 73.3 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 104.627 -2.36 . . . . 62.78 104.627 178.665 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.57 -4.89 33.43 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 123.662 0.601 . . . . 43.43 111.953 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' A' ' 96' ' ' GLU . . . -79.01 -50.04 11.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 105.572 -2.01 . . . . 39.82 105.572 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -56.51 -40.49 75.08 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 102.96 -2.978 . . . . 42.49 102.96 179.431 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tt -55.22 -42.47 73.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.529 -1.285 . . . . 59.49 107.529 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.736 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 42.5 mt-10 -50.53 -61.12 2.38 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.865 -1.161 . . . . 57.66 107.865 178.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -46.07 -50.25 15.46 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.626 -1.25 . . . . 75.31 107.626 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.15 -43.73 42.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.801 -0.814 . . . . 45.34 108.801 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.611 HG12 ' HD2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -69.84 -39.45 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.751 -0.659 . . . . 57.72 110.561 179.766 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.736 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 3.3 mpt_? -60.5 -24.35 65.23 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.144 -0.935 . . . . 74.67 108.829 179.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.49 -67.68 0.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.375 -0.972 . . . . 57.2 108.375 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.68 ' HG ' ' N ' ' A' ' 103' ' ' GLU . 4.5 tp 7.72 -67.98 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 121.132 3.752 . . . . 46.06 121.132 178.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.68 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 15.3 pt-20 -155.07 161.4 41.32 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.431 0.692 . . . . 53.95 109.541 -176.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -117.87 -5.73 11.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 118.963 -1.095 . . . . 44.68 108.788 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.46 -7.71 0.88 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 117.251 2.315 . . . . 42.22 117.251 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.73 -141.77 0.1 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.936 1.828 . . . . 48.53 115.936 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 C--O 1.254 1.318 0 CA-C-O 116.917 -1.516 . . . . 54.18 111.106 -179.952 . . . . . . . . 0 0 . 1 stop_ save_