data_6a6c_residue ############################ # Computer software used # ############################ 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 6a6c _Structure_validation_residue.Date_analyzed 2019-06-28 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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.485 0 CA-C-O 120.894 0.378 . . . . 50.54 110.447 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.77 149.77 45.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.887 0.851 . . . . 49.95 111.158 -171.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -152.98 164.37 38.09 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 106.839 -1.541 . . . . 37.28 106.839 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p -122.74 164.43 18.33 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.86 -0.793 . . . . 20.29 108.86 160.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -155.37 170.65 21.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.747 0.784 . . . . 20.7 109.405 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.97 178.71 46.92 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 118.653 -1.737 . . . . 16.16 111.044 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.94 114.77 16.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.417 -1.327 . . . . 15.53 107.417 174.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -95.78 155.23 16.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.518 0.675 . . . . 18.89 110.067 172.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.95 130.13 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 108.018 -1.104 . . . . 23.59 108.018 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -128.01 126.86 42.14 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.454 -1.314 . . . . 20.18 107.454 158.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.63 -121.41 9.69 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.857 -1.297 . . . . 23.15 109.857 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -107.98 3.34 24.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 117.384 0.592 . . . . 41.91 112.357 174.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -95.5 144.72 25.76 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.755 -0.461 . . . . 24.75 109.755 -172.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.25 129.98 65.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 N-CA-C 107.914 -1.143 . . . . 17.45 107.914 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.5 m -110.15 105.65 14.81 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.469 -1.308 . . . . 17.88 107.469 174.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.15 132.14 45.34 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.633 -0.877 . . . . 14.75 108.633 167.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -135.52 158.63 43.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.846 -0.742 . . . . 19.73 109.792 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -147.41 124.37 11.33 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.599 -1.63 . . . . 16.35 106.599 -175.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -119.32 121.99 40.85 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.238 -1.023 . . . . 34.47 108.238 -175.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -101.02 139.42 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.683 0.393 . . . . 38.45 111.006 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 p -109.15 11.01 25.82 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.528 -0.76 . . . . 50.82 112.189 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.5 m -116.35 -167.51 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 107.363 -1.347 . . . . 48.13 107.363 174.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -89.13 71.79 8.33 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.165 0.984 . . . . 58.65 109.989 -174.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 m -93.54 141.31 28.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.84 -0.618 . . . . 41.69 109.606 -177.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 p -121.59 -30.35 4.22 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 114.699 1.37 . . . . 41.75 114.699 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -142.13 158.17 44.05 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 119.069 0.85 . . . . 28.87 108.728 169.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -138.75 136.7 43.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.817 -1.179 . . . . 18.25 107.817 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -108.63 151.11 26.58 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.985 -0.746 . . . . 27.55 108.985 165.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.76 144.13 15.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.944 -1.132 . . . . 17.6 107.944 168.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -123.64 123.02 39.62 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.095 -1.446 . . . . 19.62 107.095 168.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -146.44 153.93 41.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 116.847 -1.941 . . . . 18.8 111.795 -171.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -125.65 126.66 45.06 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.96 -1.496 . . . . 31.87 106.96 171.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.66 123.77 57.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 107.316 -1.364 . . . . 30.17 107.316 173.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 48.98 48.85 20.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.644 0.735 . . . . 34.51 110.662 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m 61.3 22.69 13.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.345 -0.843 . . . . 35.06 112.445 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.31 -174.0 48.53 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 122.008 0.782 . . . . 28.44 111.582 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.75 138.88 21.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.735 0.779 . . . . 40.04 110.419 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -66.29 126.43 28.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.512 -0.767 . . . . 20.25 110.108 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -99.29 139.88 34.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.676 0.75 . . . . 33.87 110.124 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -123.24 119.08 29.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.594 -1.632 . . . . 20.15 106.594 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.3 t -142.46 135.09 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 N-CA-C 107.443 -1.317 . . . . 17.95 107.443 -170.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -83.72 145.83 28.53 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 117.982 -1.487 . . . . 35.85 109.398 170.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 75.0 mtp -90.45 162.51 15.04 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.749 -0.659 . . . . 19.61 110.258 -170.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 m -94.61 164.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.018 1.727 . . . . 26.93 108.817 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -112.68 113.21 25.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.51 -0.552 . . . . 25.86 109.51 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.22 102.28 14.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.482 -1.673 . . . . 23.23 106.482 176.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.83 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.102 -0.499 . . . . 29.44 111.405 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.24 66.19 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.449 -0.881 . . . . 36.26 113.673 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.51 3.91 18.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 122.133 -0.627 . . . . 26.61 112.415 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.75 58.02 4.19 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.319 1.047 . . . . 22.84 111.514 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -159.01 153.79 24.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.594 -0.73 . . . . 19.35 109.831 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -85.33 144.99 27.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.633 -0.712 . . . . 22.77 109.95 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.91 149.59 40.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.625 0.726 . . . . 21.98 111.445 -168.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -145.47 124.65 12.92 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.815 -1.084 . . . . 13.46 109.115 165.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.9 m -102.39 133.31 47.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.849 0.357 . . . . 15.37 110.375 -176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 mt -108.33 126.12 65.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 106.898 -1.519 . . . . 18.61 106.898 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.16 138.68 52.05 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.618 -0.433 . . . . 20.96 110.409 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 p 52.49 54.47 10.6 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.781 0.832 . . . . 29.86 112.508 167.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.76 5.02 5.48 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.387 0.514 . . . . 21.86 112.387 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.4 67.69 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.604 -0.438 . . . . 25.03 111.533 -177.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -96.25 1.12 51.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 112.965 0.728 . . . . 49.92 112.965 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' HOH . . . -87.07 169.28 12.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.988 -0.745 . . . . 29.1 108.988 177.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -109.11 140.39 42.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.926 -1.138 . . . . 61.94 107.926 167.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.0 mt -135.66 117.17 19.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 N-CA-C 109.008 -0.738 . . . . 23.52 109.008 -168.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.91 127.77 37.5 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 107.865 -1.161 . . . . 53.97 107.865 169.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -151.27 158.2 43.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.433 -1.307 . . . . 20.91 112.291 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -149.89 158.62 44.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.52 -1.218 . . . . 19.83 109.078 168.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -106.39 149.47 26.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.881 -1.054 . . . . 20.67 109.98 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 t -122.55 132.68 54.43 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.121 -1.066 . . . . 21.05 108.121 163.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -145.38 157.48 44.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.358 0.599 . . . . 34.06 109.534 -168.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -105.57 149.29 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.674 0.749 . . . . 50.32 110.705 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -102.71 36.52 2.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 60.83 111.467 172.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.49 0 N-CA-C 115.122 0.809 . . . . 51.66 115.122 -179.032 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 CA--C 1.535 0.562 0 CA-C-O 118.537 -0.693 . . . . 66.05 111.775 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.07 167.88 12.61 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.423 0.63 . . . . 33.29 110.483 -168.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -143.52 137.49 28.52 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.451 -0.795 . . . . 42.29 109.481 -172.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -104.63 135.2 46.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.332 -0.618 . . . . 29.87 109.332 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -81.21 163.43 23.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 122.243 1.021 . . . . 30.59 108.67 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -58.54 172.47 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.382 -0.927 . . . . 27.86 109.901 166.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -88.27 133.7 33.99 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.465 -0.789 . . . . 23.47 109.251 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -112.03 159.6 18.3 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.21 1.004 . . . . 21.25 109.871 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.8 t -121.5 138.17 54.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 35.19 109.694 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -105.12 125.18 50.69 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.854 -1.165 . . . . 25.57 107.854 162.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.575 0 N-CA-C 114.886 1.439 . . . . 54.32 114.886 -167.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.404 ' O ' ' O ' ' A' ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--O 1.238 0.485 0 CA-C-O 120.894 0.378 . . . . 50.54 110.447 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.77 149.77 45.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.887 0.851 . . . . 49.95 111.158 -171.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -152.98 164.37 38.09 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 106.839 -1.541 . . . . 37.28 106.839 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p -122.74 164.43 18.33 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.86 -0.793 . . . . 20.29 108.86 160.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -155.37 170.65 21.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.747 0.784 . . . . 20.7 109.405 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.97 178.71 46.92 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 118.653 -1.737 . . . . 16.16 111.044 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.94 114.77 16.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.417 -1.327 . . . . 15.53 107.417 174.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -95.78 155.23 16.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.518 0.675 . . . . 18.89 110.067 172.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.95 130.13 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 108.018 -1.104 . . . . 23.59 108.018 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -128.01 126.86 42.14 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.454 -1.314 . . . . 20.18 107.454 158.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.63 -121.41 9.69 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.857 -1.297 . . . . 23.15 109.857 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -107.98 3.34 24.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 117.384 0.592 . . . . 41.91 112.357 174.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -95.5 144.72 25.76 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.755 -0.461 . . . . 24.75 109.755 -172.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.25 129.98 65.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 N-CA-C 107.914 -1.143 . . . . 17.45 107.914 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.5 m -110.15 105.65 14.81 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.469 -1.308 . . . . 17.88 107.469 174.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.15 132.14 45.34 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.633 -0.877 . . . . 14.75 108.633 167.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -135.52 158.63 43.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.846 -0.742 . . . . 19.73 109.792 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -147.41 124.37 11.33 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.599 -1.63 . . . . 16.35 106.599 -175.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -119.32 121.99 40.85 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.238 -1.023 . . . . 34.47 108.238 -175.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -101.02 139.42 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.683 0.393 . . . . 38.45 111.006 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 p -109.15 11.01 25.82 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.528 -0.76 . . . . 50.82 112.189 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 1' ' ' ALA . 29.5 m -116.35 -167.51 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 107.363 -1.347 . . . . 48.13 107.363 174.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -89.13 71.79 8.33 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.165 0.984 . . . . 58.65 109.989 -174.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 m -93.54 141.31 28.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.84 -0.618 . . . . 41.69 109.606 -177.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 p -121.59 -30.35 4.22 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 114.699 1.37 . . . . 41.75 114.699 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -142.13 158.17 44.05 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 119.069 0.85 . . . . 28.87 108.728 169.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -138.75 136.7 43.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.817 -1.179 . . . . 18.25 107.817 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 42' ' ' ARG . 39.0 m-20 -108.63 151.11 26.58 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.985 -0.746 . . . . 27.55 108.985 165.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG13 ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.76 144.13 15.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.944 -1.132 . . . . 17.6 107.944 168.918 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -123.64 123.02 39.62 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.095 -1.446 . . . . 19.62 107.095 168.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -146.44 153.93 41.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 116.847 -1.941 . . . . 18.8 111.795 -171.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -125.65 126.66 45.06 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.96 -1.496 . . . . 31.87 106.96 171.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.66 123.77 57.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 107.316 -1.364 . . . . 30.17 107.316 173.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 48.98 48.85 20.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.644 0.735 . . . . 34.51 110.662 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m 61.3 22.69 13.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.345 -0.843 . . . . 35.06 112.445 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.31 -174.0 48.53 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 122.008 0.782 . . . . 28.44 111.582 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.75 138.88 21.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.735 0.779 . . . . 40.04 110.419 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -66.29 126.43 28.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.512 -0.767 . . . . 20.25 110.108 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -99.29 139.88 34.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.676 0.75 . . . . 33.87 110.124 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -123.24 119.08 29.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.594 -1.632 . . . . 20.15 106.594 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.3 t -142.46 135.09 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 N-CA-C 107.443 -1.317 . . . . 17.95 107.443 -170.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HB2' ' OD2' ' A' ' 28' ' ' ASP . 19.0 ttm180 -83.72 145.83 28.53 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 117.982 -1.487 . . . . 35.85 109.398 170.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 75.0 mtp -90.45 162.51 15.04 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.749 -0.659 . . . . 19.61 110.258 -170.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 m -94.61 164.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.018 1.727 . . . . 26.93 108.817 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -112.68 113.21 25.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.51 -0.552 . . . . 25.86 109.51 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.22 102.28 14.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.482 -1.673 . . . . 23.23 106.482 176.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.83 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.102 -0.499 . . . . 29.44 111.405 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.24 66.19 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.449 -0.881 . . . . 36.26 113.673 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.51 3.91 18.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 122.133 -0.627 . . . . 26.61 112.415 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.75 58.02 4.19 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.319 1.047 . . . . 22.84 111.514 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -159.01 153.79 24.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.594 -0.73 . . . . 19.35 109.831 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -85.33 144.99 27.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.633 -0.712 . . . . 22.77 109.95 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.91 149.59 40.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.625 0.726 . . . . 21.98 111.445 -168.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -145.47 124.65 12.92 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.815 -1.084 . . . . 13.46 109.115 165.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.9 m -102.39 133.31 47.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.849 0.357 . . . . 15.37 110.375 -176.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 mt -108.33 126.12 65.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 106.898 -1.519 . . . . 18.61 106.898 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.16 138.68 52.05 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.618 -0.433 . . . . 20.96 110.409 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 p 52.49 54.47 10.6 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.781 0.832 . . . . 29.86 112.508 167.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.76 5.02 5.48 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.387 0.514 . . . . 21.86 112.387 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.4 67.69 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.604 -0.438 . . . . 25.03 111.533 -177.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -96.25 1.12 51.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 112.965 0.728 . . . . 49.92 112.965 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' HOH . . . -87.07 169.28 12.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.988 -0.745 . . . . 29.1 108.988 177.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -109.11 140.39 42.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.926 -1.138 . . . . 61.94 107.926 167.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.0 mt -135.66 117.17 19.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 N-CA-C 109.008 -0.738 . . . . 23.52 109.008 -168.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.91 127.77 37.5 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 107.865 -1.161 . . . . 53.97 107.865 169.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -151.27 158.2 43.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.433 -1.307 . . . . 20.91 112.291 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -149.89 158.62 44.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.52 -1.218 . . . . 19.83 109.078 168.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CE2' HG13 ' A' ' 29' ' ' VAL . 86.5 m-85 -106.39 149.47 26.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.881 -1.054 . . . . 20.67 109.98 -176.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 t -122.55 132.68 54.43 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.121 -1.066 . . . . 21.05 108.121 163.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -145.38 157.48 44.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.358 0.599 . . . . 34.06 109.534 -168.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -105.57 149.29 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.674 0.749 . . . . 50.32 110.705 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -102.71 36.52 2.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 60.83 111.467 172.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.49 0 N-CA-C 115.122 0.809 . . . . 51.66 115.122 -179.032 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 CA--C 1.535 0.562 0 CA-C-O 118.537 -0.693 . . . . 66.05 111.775 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.07 167.88 12.61 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.423 0.63 . . . . 33.29 110.483 -168.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -143.52 137.49 28.52 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.451 -0.795 . . . . 42.29 109.481 -172.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -104.63 135.2 46.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.332 -0.618 . . . . 29.87 109.332 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -81.21 163.43 23.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 122.243 1.021 . . . . 30.59 108.67 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -58.54 172.47 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.382 -0.927 . . . . 27.86 109.901 166.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -88.27 133.7 33.99 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.465 -0.789 . . . . 23.47 109.251 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -112.03 159.6 18.3 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.21 1.004 . . . . 21.25 109.871 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.8 t -121.5 138.17 54.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 35.19 109.694 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -105.12 125.18 50.69 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.854 -1.165 . . . . 25.57 107.854 162.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.575 0 N-CA-C 114.886 1.439 . . . . 54.32 114.886 -167.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.404 ' O ' ' O ' ' A' ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' HA ' HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--O 1.238 0.485 0 CA-C-O 120.894 0.378 . . . . 50.54 110.447 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.77 149.77 45.03 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.887 0.851 . . . . 49.95 111.158 -171.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -152.98 164.37 38.09 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 106.839 -1.541 . . . . 37.28 106.839 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p -122.74 164.43 18.33 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.86 -0.793 . . . . 20.29 108.86 160.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -155.37 170.65 21.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.747 0.784 . . . . 20.7 109.405 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.97 178.71 46.92 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 118.653 -1.737 . . . . 16.16 111.044 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.94 114.77 16.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.417 -1.327 . . . . 15.53 107.417 174.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -95.78 155.23 16.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.518 0.675 . . . . 18.89 110.067 172.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.95 130.13 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 108.018 -1.104 . . . . 23.59 108.018 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -128.01 126.86 42.14 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 107.454 -1.314 . . . . 20.18 107.454 158.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.63 -121.41 9.69 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 109.857 -1.297 . . . . 23.15 109.857 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -107.98 3.34 24.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 117.384 0.592 . . . . 41.91 112.357 174.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -95.5 144.72 25.76 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.755 -0.461 . . . . 24.75 109.755 -172.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.25 129.98 65.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 N-CA-C 107.914 -1.143 . . . . 17.45 107.914 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.5 m -110.15 105.65 14.81 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.469 -1.308 . . . . 17.88 107.469 174.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.15 132.14 45.34 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.633 -0.877 . . . . 14.75 108.633 167.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -135.52 158.63 43.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 119.846 -0.742 . . . . 19.73 109.792 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -147.41 124.37 11.33 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.599 -1.63 . . . . 16.35 106.599 -175.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -119.32 121.99 40.85 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.238 -1.023 . . . . 34.47 108.238 -175.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -101.02 139.42 36.73 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.683 0.393 . . . . 38.45 111.006 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 p -109.15 11.01 25.82 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.528 -0.76 . . . . 50.82 112.189 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 1' ' ' ALA . 29.5 m -116.35 -167.51 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 107.363 -1.347 . . . . 48.13 107.363 174.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -89.13 71.79 8.33 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.165 0.984 . . . . 58.65 109.989 -174.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 m -93.54 141.31 28.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.84 -0.618 . . . . 41.69 109.606 -177.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 p -121.59 -30.35 4.22 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 114.699 1.37 . . . . 41.75 114.699 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -142.13 158.17 44.05 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 119.069 0.85 . . . . 28.87 108.728 169.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -138.75 136.7 43.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.817 -1.179 . . . . 18.25 107.817 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 42' ' ' ARG . 39.0 m-20 -108.63 151.11 26.58 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.985 -0.746 . . . . 27.55 108.985 165.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG13 ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.76 144.13 15.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.944 -1.132 . . . . 17.6 107.944 168.918 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -123.64 123.02 39.62 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.095 -1.446 . . . . 19.62 107.095 168.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -146.44 153.93 41.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 116.847 -1.941 . . . . 18.8 111.795 -171.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -125.65 126.66 45.06 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 106.96 -1.496 . . . . 31.87 106.96 171.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.66 123.77 57.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 107.316 -1.364 . . . . 30.17 107.316 173.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 48.98 48.85 20.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.644 0.735 . . . . 34.51 110.662 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m 61.3 22.69 13.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.345 -0.843 . . . . 35.06 112.445 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.31 -174.0 48.53 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 122.008 0.782 . . . . 28.44 111.582 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.75 138.88 21.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.735 0.779 . . . . 40.04 110.419 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -66.29 126.43 28.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.512 -0.767 . . . . 20.25 110.108 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -99.29 139.88 34.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.676 0.75 . . . . 33.87 110.124 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -123.24 119.08 29.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.594 -1.632 . . . . 20.15 106.594 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.3 t -142.46 135.09 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 N-CA-C 107.443 -1.317 . . . . 17.95 107.443 -170.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HB2' ' OD2' ' A' ' 28' ' ' ASP . 19.0 ttm180 -83.72 145.83 28.53 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 117.982 -1.487 . . . . 35.85 109.398 170.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 75.0 mtp -90.45 162.51 15.04 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.749 -0.659 . . . . 19.61 110.258 -170.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 m -94.61 164.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.018 1.727 . . . . 26.93 108.817 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -112.68 113.21 25.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.51 -0.552 . . . . 25.86 109.51 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.22 102.28 14.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.482 -1.673 . . . . 23.23 106.482 176.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.83 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.102 -0.499 . . . . 29.44 111.405 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.54 -33.24 66.19 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.449 -0.881 . . . . 36.26 113.673 177.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.51 3.91 18.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 122.133 -0.627 . . . . 26.61 112.415 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.75 58.02 4.19 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.319 1.047 . . . . 22.84 111.514 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -159.01 153.79 24.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.594 -0.73 . . . . 19.35 109.831 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -85.33 144.99 27.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.633 -0.712 . . . . 22.77 109.95 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.91 149.59 40.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.625 0.726 . . . . 21.98 111.445 -168.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -145.47 124.65 12.92 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.815 -1.084 . . . . 13.46 109.115 165.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.9 m -102.39 133.31 47.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.849 0.357 . . . . 15.37 110.375 -176.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 mt -108.33 126.12 65.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 106.898 -1.519 . . . . 18.61 106.898 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.16 138.68 52.05 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.618 -0.433 . . . . 20.96 110.409 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 p 52.49 54.47 10.6 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.781 0.832 . . . . 29.86 112.508 167.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.76 5.02 5.48 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.387 0.514 . . . . 21.86 112.387 -176.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.4 67.69 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.604 -0.438 . . . . 25.03 111.533 -177.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -96.25 1.12 51.85 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 112.965 0.728 . . . . 49.92 112.965 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' HOH . . . -87.07 169.28 12.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.988 -0.745 . . . . 29.1 108.988 177.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -109.11 140.39 42.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.926 -1.138 . . . . 61.94 107.926 167.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.0 mt -135.66 117.17 19.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 N-CA-C 109.008 -0.738 . . . . 23.52 109.008 -168.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.91 127.77 37.5 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 107.865 -1.161 . . . . 53.97 107.865 169.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -151.27 158.2 43.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.433 -1.307 . . . . 20.91 112.291 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -149.89 158.62 44.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.52 -1.218 . . . . 19.83 109.078 168.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CE2' HG13 ' A' ' 29' ' ' VAL . 86.5 m-85 -106.39 149.47 26.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.881 -1.054 . . . . 20.67 109.98 -176.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 t -122.55 132.68 54.43 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.121 -1.066 . . . . 21.05 108.121 163.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -145.38 157.48 44.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.358 0.599 . . . . 34.06 109.534 -168.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -105.57 149.29 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.674 0.749 . . . . 50.32 110.705 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -102.71 36.52 2.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 60.83 111.467 172.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.49 0 N-CA-C 115.122 0.809 . . . . 51.66 115.122 -179.032 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 CA--C 1.535 0.562 0 CA-C-O 118.537 -0.693 . . . . 66.05 111.775 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.07 167.88 12.61 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.423 0.63 . . . . 33.29 110.483 -168.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -143.52 137.49 28.52 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.451 -0.795 . . . . 42.29 109.481 -172.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -104.63 135.2 46.48 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.332 -0.618 . . . . 29.87 109.332 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -81.21 163.43 23.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 122.243 1.021 . . . . 30.59 108.67 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -58.54 172.47 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.382 -0.927 . . . . 27.86 109.901 166.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -88.27 133.7 33.99 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.465 -0.789 . . . . 23.47 109.251 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -112.03 159.6 18.3 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.21 1.004 . . . . 21.25 109.871 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.8 t -121.5 138.17 54.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 35.19 109.694 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -105.12 125.18 50.69 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.854 -1.165 . . . . 25.57 107.854 162.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.575 0 N-CA-C 114.886 1.439 . . . . 54.32 114.886 -167.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.404 ' O ' ' O ' ' A' ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_