data_1a18_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 1a18 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.262 0.838 . . . . 44.87 113.262 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -8.52 57.5 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.4 0.889 . . . . 71.17 113.4 179.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.6 -17.95 57.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 39.41 110.666 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.7 -18.31 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 114.069 1.137 . . . . 23.62 114.069 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -57.39 132.78 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 113.541 0.941 . . . . 38.92 113.541 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.96 -174.26 22.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 114.685 0.634 . . . . 34.19 114.685 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -109.3 132.83 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.468 -1.678 . . . . 30.4 106.468 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -129.3 141.53 51.07 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.504 0.927 . . . . 36.01 113.504 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -107.35 141.78 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.91 -0.774 . . . . 74.54 108.91 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.76 140.27 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.622 -1.621 . . . . 38.53 106.622 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.6 p -126.47 -23.67 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.345 -0.542 . . . . 45.01 111.691 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 p -154.4 157.48 38.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.042 -0.263 . . . . 31.9 110.42 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -152.8 128.43 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.692 -0.484 . . . . 34.06 109.692 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -134.56 132.35 39.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 43.56 110.994 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 60.14 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 115.033 1.494 . . . . 63.08 115.033 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.83 -44.79 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.476 . . . . 43.97 110.706 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -57.5 -42.29 82.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.173 -0.467 . . . . 48.43 111.452 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.59 -41.41 98.95 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.736 -0.468 . . . . 67.9 109.736 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.05 -51.28 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.558 -0.747 . . . . 40.82 110.945 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.2 mtm -58.22 -42.26 85.88 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.268 0.355 . . . . 55.09 111.203 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -57.18 -42.23 80.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.012 -0.736 . . . . 68.39 109.012 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -65.01 -42.39 94.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.819 1.044 . . . . 52.53 113.819 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.0 m -70.28 -11.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.496 -0.557 . . . . 44.97 109.496 179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.41 30.46 8.14 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 115.903 1.121 . . . . 41.85 115.903 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.76 133.49 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 117.119 0.459 . . . . 41.31 111.919 179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 142.97 47.85 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.1 -0.954 . . . . 38.39 114.056 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -41.75 -55.93 2.84 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 114.537 1.31 . . . . 37.64 114.537 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -56.73 18.33 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.569 1.322 . . . . 37.08 114.569 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.0 p -64.35 -30.01 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.514 0.197 . . . . 52.51 111.367 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.26 -35.63 75.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 42.22 110.257 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -76.22 -40.08 53.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.967 -0.56 . . . . 60.11 110.538 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.28 -33.55 63.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.74 -0.467 . . . . 46.11 109.74 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.26 -41.85 69.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.847 -0.615 . . . . 44.59 109.612 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -27.29 72.66 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 115.228 0.851 . . . . 46.8 115.228 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.4 mtp -83.74 -4.39 58.59 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.138 0.422 . . . . 60.61 112.138 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.54 141.72 28.4 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.825 1.046 . . . . 50.08 113.825 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -122.59 82.04 47.74 Favored Pre-proline 0 C--O 1.236 0.373 0 N-CA-C 104.267 -2.494 . . . . 68.94 104.267 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.13 162.47 35.54 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 124.698 3.599 . . . . 36.63 116.323 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.88 90.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.752 -1.113 . . . . 62.22 108.557 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.5 ttm -70.31 121.92 18.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.954 -1.021 . . . . 32.47 109.565 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mt -118.26 103.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.55 -0.537 . . . . 28.36 109.55 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.0 mt -93.26 139.17 18.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.678 -0.49 . . . . 24.51 109.678 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.53 159.47 44.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.642 . . . . 48.55 110.637 -178.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -136.02 144.26 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 26.47 110.448 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -148.28 95.18 2.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 105.557 -2.016 . . . . 40.54 105.557 178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 -133.83 19.03 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 107.583 -2.207 . . . . 21.88 107.583 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -87.83 7.12 32.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.287 0.477 . . . . 48.63 112.287 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -105.54 119.53 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.462 0.542 . . . . 24.38 112.462 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.54 135.38 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.982 -0.747 . . . . 17.61 108.982 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.1 124.03 35.97 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 113.083 0.772 . . . . 30.67 113.083 -179.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -111.0 108.41 25.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.237 -0.892 . . . . 28.0 108.844 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -105.85 123.2 47.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 69.83 110.748 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . 0.411 ' CB ' ' C2 ' ' A' ' 117' ' ' NPH . 34.3 t -109.31 127.97 54.72 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.91 -0.774 . . . . 37.26 108.91 179.092 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -121.21 118.83 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.345 -0.613 . . . . 48.83 109.345 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.2 t -139.75 167.1 22.87 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.224 -0.898 . . . . 56.16 111.798 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 m -75.44 -16.71 60.31 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.912 -1.514 . . . . 67.07 106.912 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -81.62 -57.13 3.59 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.13 -0.941 . . . . 52.16 111.635 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 133.48 1.21 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.894 0.331 . . . . 58.71 111.894 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -89.18 117.99 28.56 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.86 -0.422 . . . . 38.22 109.86 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -117.9 153.41 33.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.145 0.498 . . . . 34.3 111.207 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -147.54 126.98 13.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.794 -0.639 . . . . 33.54 110.542 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 pt -127.08 133.26 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.172 -1.047 . . . . 25.8 108.172 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 m -119.83 136.62 54.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.541 -2.762 . . . . 32.27 103.541 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -160.85 169.34 22.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.904 1.076 . . . . 19.23 113.904 -177.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -111.39 147.01 36.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 102.86 -3.015 . . . . 36.37 102.86 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.93 145.82 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.872 -0.331 . . . . 13.96 110.931 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.0 4.96 30.48 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 116.819 1.488 . . . . 24.83 116.819 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.6 116.45 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 117.929 0.864 . . . . 15.66 110.951 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -55.56 138.49 46.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.602 -0.726 . . . . 35.32 112.295 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -142.05 163.42 32.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 112.516 0.561 . . . . 24.38 112.516 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.33 138.08 32.03 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.567 -0.742 . . . . 28.41 110.359 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -144.93 141.44 29.02 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.874 0.694 . . . . 25.62 112.874 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.38 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 102.462 -3.162 . . . . 27.5 102.462 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.4 p -63.48 168.86 4.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.19 0.441 . . . . 23.31 112.19 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.95 83.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.492 -0.322 . . . . 31.5 111.648 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -81.65 19.3 1.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.273 0.558 . . . . 32.91 111.954 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 64.26 26.36 13.72 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 119.936 3.31 . . . . 57.17 119.936 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -86.74 143.45 27.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.149 -1.797 . . . . 26.75 106.149 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -102.35 110.55 22.53 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 104.37 -2.456 . . . . 40.98 104.37 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.5 m -123.42 168.93 15.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 116.039 1.866 . . . . 21.82 116.039 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -108.04 119.28 39.03 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 103.746 -2.687 . . . . 44.96 103.746 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 m -118.33 154.29 32.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.418 1.266 . . . . 23.22 114.418 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.76 122.5 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.016 -1.476 . . . . 38.88 107.016 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -111.27 130.98 63.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 115.712 -0.676 . . . . 14.52 111.034 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.5 p -127.61 160.33 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 19.63 110.765 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 tp -102.11 87.24 3.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 102.689 -3.078 . . . . 22.31 102.689 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -107.23 123.2 47.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 56.12 110.941 -178.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 56.22 38.61 78.5 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.956 -0.566 . . . . 42.21 113.493 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.88 0.49 64.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 115.704 1.042 . . . . 31.66 115.704 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.82 144.21 44.77 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.076 0.769 . . . . 28.56 113.076 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.81 106.49 8.52 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.802 -1.925 . . . . 23.88 105.802 178.459 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.75 111.64 36.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.592 0.71 . . . . 22.64 112.691 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -107.33 130.08 54.82 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.88 -1.054 . . . . 24.05 111.709 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.37 127.7 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.165 -0.68 . . . . 25.83 109.165 177.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -107.39 120.54 42.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.388 -0.824 . . . . 21.41 111.6 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -111.17 132.99 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.615 . . . . 47.76 109.832 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -164.12 137.8 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.796 -0.446 . . . . 34.66 109.796 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 44.24 44.33 6.49 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 115.158 1.54 . . . . 63.08 115.158 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.25 -13.82 7.25 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.705 -0.759 . . . . 44.98 114.581 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.74 168.25 13.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.775 0.321 . . . . 61.56 110.469 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -158.05 126.67 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.204 1.187 . . . . 46.39 114.204 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 t -123.84 150.57 44.42 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.328 -0.99 . . . . 26.76 108.328 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.4 p -124.59 138.65 54.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.005 -0.739 . . . . 44.09 109.005 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.54 111.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 27.26 109.907 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -98.31 133.04 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.688 0.625 . . . . 55.85 112.688 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . 0.545 ' NH2' ' C4 ' ' A' ' 117' ' ' NPH . 84.3 mtt85 -123.41 110.41 15.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.232 -1.766 . . . . 27.2 106.232 178.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -130.09 151.3 50.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.46 0.911 . . . . 62.4 113.46 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -92.8 133.8 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.468 -0.787 . . . . 34.46 109.001 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -138.74 87.32 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 105.451 -2.055 . . . . 51.13 105.451 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.19 -128.63 9.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 108.478 -1.849 . . . . 43.44 108.478 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -93.57 9.76 35.4 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.154 0.427 . . . . 50.43 112.154 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -107.2 161.36 14.84 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.217 0.821 . . . . 47.82 113.217 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.05 104.3 9.41 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 104.897 -2.261 . . . . 30.38 104.897 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.18 123.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.493 0.923 . . . . 29.7 113.493 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.95 116.34 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 29.26 110.612 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -109.68 115.01 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 61.43 110.431 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' NPH . . . . . 0.545 ' C4 ' ' NH2' ' A' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.62 138.32 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.789 0.663 . . . . 43.67 112.789 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.28 101.55 2.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.971 -1.122 . . . . 46.77 107.971 179.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 53.52 59.94 4.02 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.315 0.487 . . . . 72.33 112.315 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 86.52 -47.71 3.78 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 116.687 1.435 . . . . 62.98 116.687 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.42 133.56 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.1 0.45 . . . . 48.05 111.463 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.9 m -129.87 128.16 41.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.172 0.51 . . . . 32.61 112.299 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.9 t -107.22 136.31 47.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.948 -1.131 . . . . 27.42 107.948 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 48.7 m -125.22 119.5 28.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.346 0.594 . . . . 33.2 112.279 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -124.78 123.97 41.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.195 -0.911 . . . . 59.26 108.834 -179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.4 t -102.79 137.87 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 30.37 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.51 166.24 15.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.951 -1.129 . . . . 25.32 107.951 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.019 -1.104 . . . . 51.95 108.019 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -48.0 127.99 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.926 1.454 . . . . 64.42 114.926 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.0 -1.0 . . . . 61.71 110.017 179.471 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1018 ' ' HOH . . . . . 0.429 ' O ' ' NH1' ' A' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.262 0.838 . . . . 44.87 113.262 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -8.52 57.5 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.4 0.889 . . . . 71.17 113.4 179.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.6 -17.95 57.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 39.41 110.666 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.7 -18.31 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 114.069 1.137 . . . . 23.62 114.069 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -57.39 132.78 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 113.541 0.941 . . . . 38.92 113.541 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.96 -174.26 22.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 114.685 0.634 . . . . 34.19 114.685 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -109.3 132.83 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.468 -1.678 . . . . 30.4 106.468 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 128' ' ' TYR . 16.2 m95 -129.3 141.53 51.07 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.504 0.927 . . . . 36.01 113.504 -177.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -107.35 141.78 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.91 -0.774 . . . . 74.54 108.91 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.76 140.27 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.622 -1.621 . . . . 38.53 106.622 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 127' ' ' VAL . 9.6 p -126.47 -23.67 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.345 -0.542 . . . . 45.01 111.691 -179.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 p -154.4 157.48 38.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.042 -0.263 . . . . 31.9 110.42 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -152.8 128.43 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.692 -0.484 . . . . 34.06 109.692 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -134.56 132.35 39.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 43.56 110.994 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 60.14 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 115.033 1.494 . . . . 63.08 115.033 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.83 -44.79 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.476 . . . . 43.97 110.706 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -57.5 -42.29 82.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.173 -0.467 . . . . 48.43 111.452 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.59 -41.41 98.95 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.736 -0.468 . . . . 67.9 109.736 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 117' ' ' NPH . 77.0 t80 -63.05 -51.28 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.558 -0.747 . . . . 40.82 110.945 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . 0.515 ' HE3' ' HG2' ' A' ' 30' ' ' ARG . 75.2 mtm -58.22 -42.26 85.88 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.268 0.355 . . . . 55.09 111.203 178.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -57.18 -42.23 80.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.012 -0.736 . . . . 68.39 109.012 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -65.01 -42.39 94.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.819 1.044 . . . . 52.53 113.819 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 119' ' ' MET . 4.0 m -70.28 -11.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.496 -0.557 . . . . 44.97 109.496 179.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.41 30.46 8.14 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 115.903 1.121 . . . . 41.85 115.903 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG23 ' CG2' ' A' ' 23' ' ' VAL . 97.1 t -79.76 133.49 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 117.119 0.459 . . . . 41.31 111.919 179.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 142.97 47.85 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.1 -0.954 . . . . 38.39 114.056 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 t80 -41.75 -55.93 2.84 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 114.537 1.31 . . . . 37.64 114.537 -179.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -56.73 18.33 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.569 1.322 . . . . 37.08 114.569 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.0 p -64.35 -30.01 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.514 0.197 . . . . 52.51 111.367 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' HG2' ' HE3' ' A' ' 20' ' ' MET . 16.8 ttm180 -60.26 -35.63 75.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 42.22 110.257 179.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' PHE . 66.8 mmtt -76.22 -40.08 53.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.967 -0.56 . . . . 60.11 110.538 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.28 -33.55 63.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.74 -0.467 . . . . 46.11 109.74 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.26 -41.85 69.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.847 -0.615 . . . . 44.59 109.612 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -27.29 72.66 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 115.228 0.851 . . . . 46.8 115.228 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.4 mtp -83.74 -4.39 58.59 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.138 0.422 . . . . 60.61 112.138 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . 0.522 ' HB1' ' OG ' ' A' ' 55' ' ' SER . . . -87.54 141.72 28.4 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.825 1.046 . . . . 50.08 113.825 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -122.59 82.04 47.74 Favored Pre-proline 0 C--O 1.236 0.373 0 N-CA-C 104.267 -2.494 . . . . 68.94 104.267 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . 1.039 ' HG3' ' H9 ' ' A' ' 117' ' ' NPH . 40.3 Cg_endo -66.13 162.47 35.54 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 124.698 3.599 . . . . 36.63 116.323 -179.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.88 90.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.752 -1.113 . . . . 62.22 108.557 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.5 ttm -70.31 121.92 18.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.954 -1.021 . . . . 32.47 109.565 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mt -118.26 103.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.55 -0.537 . . . . 28.36 109.55 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.0 mt -93.26 139.17 18.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.678 -0.49 . . . . 24.51 109.678 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.53 159.47 44.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.642 . . . . 48.55 110.637 -178.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -136.02 144.26 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 26.47 110.448 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' 1027 ' ' HOH . 22.2 t-20 -148.28 95.18 2.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 105.557 -2.016 . . . . 40.54 105.557 178.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 -133.83 19.03 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 107.583 -2.207 . . . . 21.88 107.583 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -87.83 7.12 32.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.287 0.477 . . . . 48.63 112.287 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -105.54 119.53 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.462 0.542 . . . . 24.38 112.462 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.54 135.38 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.982 -0.747 . . . . 17.61 108.982 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.1 124.03 35.97 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 113.083 0.772 . . . . 30.67 113.083 -179.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -111.0 108.41 25.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.237 -0.892 . . . . 28.0 108.844 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -105.85 123.2 47.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 69.83 110.748 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . 0.91 ' HB2' ' HC2' ' A' ' 117' ' ' NPH . 34.3 t -109.31 127.97 54.72 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.91 -0.774 . . . . 37.26 108.91 179.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -121.21 118.83 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.345 -0.613 . . . . 48.83 109.345 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . 0.522 ' OG ' ' HB1' ' A' ' 36' ' ' ALA . 46.2 t -139.75 167.1 22.87 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.224 -0.898 . . . . 56.16 111.798 -178.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 m -75.44 -16.71 60.31 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.912 -1.514 . . . . 67.07 106.912 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -81.62 -57.13 3.59 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.13 -0.941 . . . . 52.16 111.635 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 133.48 1.21 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.894 0.331 . . . . 58.71 111.894 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.18 117.99 28.56 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.86 -0.422 . . . . 38.22 109.86 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -117.9 153.41 33.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.145 0.498 . . . . 34.3 111.207 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -147.54 126.98 13.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.794 -0.639 . . . . 33.54 110.542 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 pt -127.08 133.26 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.172 -1.047 . . . . 25.8 108.172 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 m -119.83 136.62 54.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.541 -2.762 . . . . 32.27 103.541 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 84' ' ' ILE . 46.2 p90 -160.85 169.34 22.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.904 1.076 . . . . 19.23 113.904 -177.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -111.39 147.01 36.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 102.86 -3.015 . . . . 36.37 102.86 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.93 145.82 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.872 -0.331 . . . . 13.96 110.931 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.0 4.96 30.48 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 116.819 1.488 . . . . 24.83 116.819 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.6 116.45 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 117.929 0.864 . . . . 15.66 110.951 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -55.56 138.49 46.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.602 -0.726 . . . . 35.32 112.295 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -142.05 163.42 32.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 112.516 0.561 . . . . 24.38 112.516 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.33 138.08 32.03 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.567 -0.742 . . . . 28.41 110.359 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -144.93 141.44 29.02 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.874 0.694 . . . . 25.62 112.874 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.38 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 102.462 -3.162 . . . . 27.5 102.462 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.4 p -63.48 168.86 4.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.19 0.441 . . . . 23.31 112.19 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.95 83.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.492 -0.322 . . . . 31.5 111.648 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -81.65 19.3 1.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.273 0.558 . . . . 32.91 111.954 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 64.26 26.36 13.72 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 119.936 3.31 . . . . 57.17 119.936 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -86.74 143.45 27.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.149 -1.797 . . . . 26.75 106.149 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -102.35 110.55 22.53 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 104.37 -2.456 . . . . 40.98 104.37 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG12 ' HB3' ' A' ' 97' ' ' TRP . 16.5 m -123.42 168.93 15.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 116.039 1.866 . . . . 21.82 116.039 -177.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -108.04 119.28 39.03 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 103.746 -2.687 . . . . 44.96 103.746 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 m -118.33 154.29 32.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.418 1.266 . . . . 23.22 114.418 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.76 122.5 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.016 -1.476 . . . . 38.88 107.016 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 20.6 mt -111.27 130.98 63.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 115.712 -0.676 . . . . 14.52 111.034 -178.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.5 p -127.61 160.33 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 19.63 110.765 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 tp -102.11 87.24 3.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 102.689 -3.078 . . . . 22.31 102.689 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -107.23 123.2 47.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 56.12 110.941 -178.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 56.22 38.61 78.5 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.956 -0.566 . . . . 42.21 113.493 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.88 0.49 64.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 115.704 1.042 . . . . 31.66 115.704 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.82 144.21 44.77 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.076 0.769 . . . . 28.56 113.076 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.81 106.49 8.52 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.802 -1.925 . . . . 23.88 105.802 178.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.75 111.64 36.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.592 0.71 . . . . 22.64 112.691 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HB2' HG12 ' A' ' 84' ' ' ILE . 49.4 tt0 -107.33 130.08 54.82 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.88 -1.054 . . . . 24.05 111.709 -179.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.37 127.7 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.165 -0.68 . . . . 25.83 109.165 177.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -107.39 120.54 42.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.388 -0.824 . . . . 21.41 111.6 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -111.17 132.99 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.615 . . . . 47.76 109.832 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TRP . . . . . 0.56 ' HB3' HG12 ' A' ' 80' ' ' VAL . 4.3 p90 -164.12 137.8 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.796 -0.446 . . . . 34.66 109.796 178.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 44.24 44.33 6.49 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 115.158 1.54 . . . . 63.08 115.158 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.25 -13.82 7.25 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.705 -0.759 . . . . 44.98 114.581 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.74 168.25 13.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.775 0.321 . . . . 61.56 110.469 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -158.05 126.67 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.204 1.187 . . . . 46.39 114.204 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 t -123.84 150.57 44.42 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.328 -0.99 . . . . 26.76 108.328 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.4 p -124.59 138.65 54.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.005 -0.739 . . . . 44.09 109.005 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.54 111.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 27.26 109.907 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HB2' ' NZ ' ' A' ' 105' ' ' LYS . 4.1 ttmp? -98.31 133.04 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.688 0.625 . . . . 55.85 112.688 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . 0.806 HH21 ' H4 ' ' A' ' 117' ' ' NPH . 84.3 mtt85 -123.41 110.41 15.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.232 -1.766 . . . . 27.2 106.232 178.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -130.09 151.3 50.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.46 0.911 . . . . 62.4 113.46 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -92.8 133.8 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.468 -0.787 . . . . 34.46 109.001 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -138.74 87.32 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 105.451 -2.055 . . . . 51.13 105.451 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.19 -128.63 9.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 108.478 -1.849 . . . . 43.44 108.478 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -93.57 9.76 35.4 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.154 0.427 . . . . 50.43 112.154 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -107.2 161.36 14.84 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.217 0.821 . . . . 47.82 113.217 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.05 104.3 9.41 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 104.897 -2.261 . . . . 30.38 104.897 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.18 123.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.493 0.923 . . . . 29.7 113.493 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.95 116.34 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 29.26 110.612 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -109.68 115.01 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 61.43 110.431 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' NPH . . . . . 1.039 ' H9 ' ' HG3' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.62 138.32 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.789 0.663 . . . . 43.67 112.789 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' MET . . . . . 0.585 ' HG3' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -153.28 101.55 2.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.971 -1.122 . . . . 46.77 107.971 179.589 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 53.52 59.94 4.02 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.315 0.487 . . . . 72.33 112.315 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 86.52 -47.71 3.78 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 116.687 1.435 . . . . 62.98 116.687 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.42 133.56 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.1 0.45 . . . . 48.05 111.463 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.9 m -129.87 128.16 41.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.172 0.51 . . . . 32.61 112.299 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.9 t -107.22 136.31 47.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.948 -1.131 . . . . 27.42 107.948 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 48.7 m -125.22 119.5 28.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.346 0.594 . . . . 33.2 112.279 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -124.78 123.97 41.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.195 -0.911 . . . . 59.26 108.834 -179.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 11' ' ' VAL . 64.4 t -102.79 137.87 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 30.37 110.839 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 24.7 m-85 -123.51 166.24 15.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.951 -1.129 . . . . 25.32 107.951 179.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.019 -1.104 . . . . 51.95 108.019 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -48.0 127.99 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.926 1.454 . . . . 64.42 114.926 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.0 -1.0 . . . . 61.71 110.017 179.471 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1018 ' ' HOH . . . . . 0.429 ' O ' ' NH1' ' A' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1027 ' ' HOH . . . . . 0.435 ' O ' ' HB2' ' A' ' 45' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.262 0.838 . . . . 44.87 113.262 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -8.52 57.5 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.4 0.889 . . . . 71.17 113.4 179.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.6 -17.95 57.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 39.41 110.666 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.7 -18.31 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 114.069 1.137 . . . . 23.62 114.069 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -57.39 132.78 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 113.541 0.941 . . . . 38.92 113.541 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.96 -174.26 22.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 114.685 0.634 . . . . 34.19 114.685 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -109.3 132.83 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.468 -1.678 . . . . 30.4 106.468 178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 128' ' ' TYR . 16.2 m95 -129.3 141.53 51.07 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.504 0.927 . . . . 36.01 113.504 -177.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -107.35 141.78 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.91 -0.774 . . . . 74.54 108.91 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.76 140.27 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.622 -1.621 . . . . 38.53 106.622 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 127' ' ' VAL . 9.6 p -126.47 -23.67 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.345 -0.542 . . . . 45.01 111.691 -179.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 p -154.4 157.48 38.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.042 -0.263 . . . . 31.9 110.42 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -152.8 128.43 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.692 -0.484 . . . . 34.06 109.692 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -134.56 132.35 39.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 43.56 110.994 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 60.14 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 115.033 1.494 . . . . 63.08 115.033 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.83 -44.79 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.476 . . . . 43.97 110.706 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -57.5 -42.29 82.46 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.173 -0.467 . . . . 48.43 111.452 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.59 -41.41 98.95 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.736 -0.468 . . . . 67.9 109.736 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 117' ' ' NPH . 77.0 t80 -63.05 -51.28 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.558 -0.747 . . . . 40.82 110.945 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . 0.515 ' HE3' ' HG2' ' A' ' 30' ' ' ARG . 75.2 mtm -58.22 -42.26 85.88 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.268 0.355 . . . . 55.09 111.203 178.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -57.18 -42.23 80.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.012 -0.736 . . . . 68.39 109.012 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -65.01 -42.39 94.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.819 1.044 . . . . 52.53 113.819 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 119' ' ' MET . 4.0 m -70.28 -11.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.496 -0.557 . . . . 44.97 109.496 179.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.41 30.46 8.14 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 115.903 1.121 . . . . 41.85 115.903 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG23 ' CG2' ' A' ' 23' ' ' VAL . 97.1 t -79.76 133.49 29.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 117.119 0.459 . . . . 41.31 111.919 179.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 142.97 47.85 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.1 -0.954 . . . . 38.39 114.056 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 31.1 t80 -41.75 -55.93 2.84 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 114.537 1.31 . . . . 37.64 114.537 -179.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -56.73 18.33 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.569 1.322 . . . . 37.08 114.569 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.0 p -64.35 -30.01 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.514 0.197 . . . . 52.51 111.367 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' HG2' ' HE3' ' A' ' 20' ' ' MET . 16.8 ttm180 -60.26 -35.63 75.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 42.22 110.257 179.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' PHE . 66.8 mmtt -76.22 -40.08 53.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.967 -0.56 . . . . 60.11 110.538 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.28 -33.55 63.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.74 -0.467 . . . . 46.11 109.74 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.26 -41.85 69.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.847 -0.615 . . . . 44.59 109.612 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -27.29 72.66 Favored Glycine 0 C--N 1.331 0.282 0 N-CA-C 115.228 0.851 . . . . 46.8 115.228 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.4 mtp -83.74 -4.39 58.59 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.138 0.422 . . . . 60.61 112.138 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.522 ' HB1' ' OG ' ' A' ' 55' ' ' SER . . . -87.54 141.72 28.4 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.825 1.046 . . . . 50.08 113.825 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -122.59 82.04 47.74 Favored Pre-proline 0 C--O 1.236 0.373 0 N-CA-C 104.267 -2.494 . . . . 68.94 104.267 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . 1.039 ' HG3' ' H9 ' ' A' ' 117' ' ' NPH . 40.3 Cg_endo -66.13 162.47 35.54 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 124.698 3.599 . . . . 36.63 116.323 -179.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.88 90.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.752 -1.113 . . . . 62.22 108.557 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.5 ttm -70.31 121.92 18.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.954 -1.021 . . . . 32.47 109.565 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mt -118.26 103.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.55 -0.537 . . . . 28.36 109.55 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.0 mt -93.26 139.17 18.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.678 -0.49 . . . . 24.51 109.678 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.53 159.47 44.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.642 . . . . 48.55 110.637 -178.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -136.02 144.26 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 26.47 110.448 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' 1027 ' ' HOH . 22.2 t-20 -148.28 95.18 2.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 105.557 -2.016 . . . . 40.54 105.557 178.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.09 -133.83 19.03 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 107.583 -2.207 . . . . 21.88 107.583 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -87.83 7.12 32.07 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.287 0.477 . . . . 48.63 112.287 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -105.54 119.53 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.462 0.542 . . . . 24.38 112.462 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.54 135.38 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.982 -0.747 . . . . 17.61 108.982 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.1 124.03 35.97 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 113.083 0.772 . . . . 30.67 113.083 -179.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -111.0 108.41 25.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.237 -0.892 . . . . 28.0 108.844 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -105.85 123.2 47.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 69.83 110.748 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . 0.91 ' HB2' ' HC2' ' A' ' 117' ' ' NPH . 34.3 t -109.31 127.97 54.72 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.91 -0.774 . . . . 37.26 108.91 179.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' HA ' HD22 ' A' ' 59' ' ' ASN . 77.6 mt-10 -121.21 118.83 30.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.345 -0.613 . . . . 48.83 109.345 179.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . 0.522 ' OG ' ' HB1' ' A' ' 36' ' ' ALA . 46.2 t -139.75 167.1 22.87 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.224 -0.898 . . . . 56.16 111.798 -178.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 m -75.44 -16.71 60.31 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 106.912 -1.514 . . . . 67.07 106.912 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -81.62 -57.13 3.59 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.13 -0.941 . . . . 52.16 111.635 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -169.93 133.48 1.21 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.894 0.331 . . . . 58.71 111.894 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.482 HD22 ' HA ' ' A' ' 54' ' ' GLU . 17.2 m120 -89.18 117.99 28.56 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.86 -0.422 . . . . 38.22 109.86 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.2 p -117.9 153.41 33.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.145 0.498 . . . . 34.3 111.207 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -147.54 126.98 13.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.794 -0.639 . . . . 33.54 110.542 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 pt -127.08 133.26 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.172 -1.047 . . . . 25.8 108.172 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 m -119.83 136.62 54.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.541 -2.762 . . . . 32.27 103.541 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 84' ' ' ILE . 46.2 p90 -160.85 169.34 22.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.904 1.076 . . . . 19.23 113.904 -177.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -111.39 147.01 36.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 102.86 -3.015 . . . . 36.37 102.86 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.93 145.82 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.872 -0.331 . . . . 13.96 110.931 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.0 4.96 30.48 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 116.819 1.488 . . . . 24.83 116.819 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.6 116.45 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 117.929 0.864 . . . . 15.66 110.951 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -55.56 138.49 46.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.602 -0.726 . . . . 35.32 112.295 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -142.05 163.42 32.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 112.516 0.561 . . . . 24.38 112.516 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.33 138.08 32.03 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.567 -0.742 . . . . 28.41 110.359 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -144.93 141.44 29.02 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 112.874 0.694 . . . . 25.62 112.874 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.38 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 102.462 -3.162 . . . . 27.5 102.462 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.4 p -63.48 168.86 4.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.19 0.441 . . . . 23.31 112.19 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.95 83.62 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.492 -0.322 . . . . 31.5 111.648 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -81.65 19.3 1.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.273 0.558 . . . . 32.91 111.954 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 64.26 26.36 13.72 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 119.936 3.31 . . . . 57.17 119.936 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -86.74 143.45 27.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 106.149 -1.797 . . . . 26.75 106.149 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -102.35 110.55 22.53 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 104.37 -2.456 . . . . 40.98 104.37 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG12 ' HB3' ' A' ' 97' ' ' TRP . 16.5 m -123.42 168.93 15.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 116.039 1.866 . . . . 21.82 116.039 -177.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -108.04 119.28 39.03 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 103.746 -2.687 . . . . 44.96 103.746 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 m -118.33 154.29 32.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.418 1.266 . . . . 23.22 114.418 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.76 122.5 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.016 -1.476 . . . . 38.88 107.016 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 20.6 mt -111.27 130.98 63.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 115.712 -0.676 . . . . 14.52 111.034 -178.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.5 p -127.61 160.33 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.541 -0.754 . . . . 19.63 110.765 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 tp -102.11 87.24 3.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 102.689 -3.078 . . . . 22.31 102.689 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -107.23 123.2 47.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 56.12 110.941 -178.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 56.22 38.61 78.5 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.956 -0.566 . . . . 42.21 113.493 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.88 0.49 64.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 115.704 1.042 . . . . 31.66 115.704 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.82 144.21 44.77 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.076 0.769 . . . . 28.56 113.076 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.81 106.49 8.52 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.802 -1.925 . . . . 23.88 105.802 178.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.75 111.64 36.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.592 0.71 . . . . 22.64 112.691 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HB2' HG12 ' A' ' 84' ' ' ILE . 49.4 tt0 -107.33 130.08 54.82 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.88 -1.054 . . . . 24.05 111.709 -179.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.37 127.7 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.165 -0.68 . . . . 25.83 109.165 177.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -107.39 120.54 42.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.388 -0.824 . . . . 21.41 111.6 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -111.17 132.99 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.615 . . . . 47.76 109.832 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.56 ' HB3' HG12 ' A' ' 80' ' ' VAL . 4.3 p90 -164.12 137.8 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.796 -0.446 . . . . 34.66 109.796 178.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 44.24 44.33 6.49 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 115.158 1.54 . . . . 63.08 115.158 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.25 -13.82 7.25 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.705 -0.759 . . . . 44.98 114.581 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.74 168.25 13.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.775 0.321 . . . . 61.56 110.469 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -158.05 126.67 5.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 114.204 1.187 . . . . 46.39 114.204 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 t -123.84 150.57 44.42 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.328 -0.99 . . . . 26.76 108.328 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.4 p -124.59 138.65 54.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.005 -0.739 . . . . 44.09 109.005 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.54 111.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 27.26 109.907 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HB2' ' NZ ' ' A' ' 105' ' ' LYS . 4.1 ttmp? -98.31 133.04 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.688 0.625 . . . . 55.85 112.688 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.806 HH21 ' H4 ' ' A' ' 117' ' ' NPH . 84.3 mtt85 -123.41 110.41 15.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.232 -1.766 . . . . 27.2 106.232 178.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -130.09 151.3 50.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.46 0.911 . . . . 62.4 113.46 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -92.8 133.8 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.468 -0.787 . . . . 34.46 109.001 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -138.74 87.32 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 105.451 -2.055 . . . . 51.13 105.451 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.19 -128.63 9.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 108.478 -1.849 . . . . 43.44 108.478 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -93.57 9.76 35.4 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.154 0.427 . . . . 50.43 112.154 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -107.2 161.36 14.84 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.217 0.821 . . . . 47.82 113.217 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.05 104.3 9.41 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 104.897 -2.261 . . . . 30.38 104.897 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.18 123.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.493 0.923 . . . . 29.7 113.493 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.95 116.34 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 29.26 110.612 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -109.68 115.01 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 61.43 110.431 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' NPH . . . . . 1.039 ' H9 ' ' HG3' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.8 t -119.62 138.32 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.789 0.663 . . . . 43.67 112.789 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' MET . . . . . 0.585 ' HG3' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -153.28 101.55 2.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 107.971 -1.122 . . . . 46.77 107.971 179.589 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 53.52 59.94 4.02 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.315 0.487 . . . . 72.33 112.315 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 86.52 -47.71 3.78 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 116.687 1.435 . . . . 62.98 116.687 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.42 133.56 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 117.1 0.45 . . . . 48.05 111.463 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 85.9 m -129.87 128.16 41.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.172 0.51 . . . . 32.61 112.299 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.9 t -107.22 136.31 47.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.948 -1.131 . . . . 27.42 107.948 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 48.7 m -125.22 119.5 28.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.346 0.594 . . . . 33.2 112.279 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -124.78 123.97 41.11 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.195 -0.911 . . . . 59.26 108.834 -179.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 11' ' ' VAL . 64.4 t -102.79 137.87 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 30.37 110.839 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 24.7 m-85 -123.51 166.24 15.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.951 -1.129 . . . . 25.32 107.951 179.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.019 -1.104 . . . . 51.95 108.019 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -48.0 127.99 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.926 1.454 . . . . 64.42 114.926 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.0 -1.0 . . . . 61.71 110.017 179.471 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' HOH . . . . . 0.429 ' O ' ' NH1' ' A' ' 106' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' HOH . . . . . 0.435 ' O ' ' HB2' ' A' ' 45' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_