data_1t4f_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 1t4f _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 ' M' M ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' M' ' 159' ' ' HOH . 8.7 pt-20 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 111.629 0.233 . . . . 34.24 111.629 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 24' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.99 -17.42 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.171 0.804 . . . . 32.7 113.171 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -56.64 149.21 18.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.487 -0.19 . . . . 29.37 110.487 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 26' ' ' THR . . . . . . . . . . . . . 97.7 m -124.0 126.81 46.92 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.217 -0.661 . . . . 13.19 109.217 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.345 -1.354 . . . . 24.42 107.345 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.65 160.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 114.865 1.431 . . . . 11.9 114.865 -178.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -126.29 113.52 23.57 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 104.916 -2.253 . . . . 39.82 104.916 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -71.97 144.85 43.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.367 2.712 . . . . 11.63 113.646 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 31' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -70.78 163.96 59.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 106.15 -1.796 . . . . 23.47 106.15 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 32' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -40.94 -55.23 2.13 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.518 2.145 . . . . 14.55 117.51 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.37 -35.77 81.97 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 114.22 1.193 . . . . 24.55 114.22 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.28 -37.23 74.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.125 -1.065 . . . . 13.42 108.125 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -42.79 94.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.887 -1.153 . . . . 19.98 107.887 178.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' M' M ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.86 -43.16 94.83 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.187 -0.672 . . . . 33.29 109.187 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -59.36 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.942 -1.132 . . . . 25.58 107.942 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' M' M ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -55.43 -41.03 72.26 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 114.215 1.191 . . . . 17.22 114.215 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -67.65 -23.21 65.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.162 1.171 . . . . 26.49 114.162 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 40' ' ' SER . . . . . . . . . . . . . 53.3 p -71.4 -20.84 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.115 -0.634 . . . . 20.03 112.179 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 41' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.77 -15.39 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 114.306 1.224 . . . . 15.06 114.306 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.24 -167.56 11.24 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 119.789 -1.196 . . . . 19.02 114.337 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.58 154.03 22.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.299 0.571 . . . . 18.4 112.193 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -87.27 132.25 33.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.925 -1.509 . . . . 35.71 106.925 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -142.28 154.19 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.928 -1.508 . . . . 33.88 106.928 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 46' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.99 -41.63 77.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.441 -0.948 . . . . 34.85 108.441 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 47' ' ' THR . . . . . . . . . . . . . 32.9 p -133.61 146.92 51.38 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.214 -0.448 . . . . 22.04 110.46 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -126.94 168.68 14.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.436 -1.32 . . . . 14.93 107.436 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -99.73 156.23 17.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 103.44 -2.8 . . . . 14.42 103.44 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 50' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.39 -37.93 76.27 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.336 -0.616 . . . . 21.53 109.336 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -58.09 -43.34 87.04 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.689 -0.232 . . . . 33.77 110.461 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 52' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.9 -46.43 87.84 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.24 0.543 . . . . 26.48 110.482 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 53' ' ' VAL . . . . . . . . . . . . . 77.2 t -58.82 -47.37 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 12.0 110.965 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 54' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.2 -44.72 94.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.792 0.329 . . . . 14.32 110.311 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.22 -50.58 73.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 14.14 111.454 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.66 -40.12 93.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.056 0.761 . . . . 18.91 113.056 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.35 -40.01 92.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.636 -0.505 . . . . 15.86 109.636 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.34 96.43 Favored Glycine 0 CA--C 1.516 0.148 0 N-CA-C 109.541 -1.424 . . . . 13.24 109.541 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 59' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.24 -34.22 77.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.325 0.491 . . . . 17.77 112.325 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -65.96 -48.08 72.5 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.91 . . . . 15.13 108.544 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 61' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.62 -45.59 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.052 -0.722 . . . . 15.16 109.052 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 62' ' ' MET . . . . . . . . . . . . . 72.9 mtp -62.74 -52.48 63.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.713 0.634 . . . . 30.7 112.713 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -58.39 -33.05 69.19 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 26.6 111.72 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -92.4 2.43 56.66 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.514 0.931 . . . . 27.46 113.514 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 65' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 48.4 48.52 19.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 40.3 111.67 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 66' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.78 -15.14 59.31 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.114 0.783 . . . . 15.05 113.114 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 67' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -82.58 163.57 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.143 0.497 . . . . 25.69 111.493 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 68' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -80.85 123.37 28.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 105.751 -1.944 . . . . 14.53 105.751 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -54.76 -36.24 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.245 -0.434 . . . . 30.98 111.356 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 70' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -90.77 -1.05 57.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.476 1.658 . . . . 29.26 115.476 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -159.63 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 103.893 -2.632 . . . . 14.77 103.893 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 72' ' ' GLN . . . . . 0.535 ' NE2' ' N ' ' P' ' 18' ' ' ARG . 14.8 mt-30 -61.99 -1.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 119.432 3.123 . . . . 17.2 119.432 -175.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' M' M ' 73' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -94.64 4.11 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.388 -0.925 . . . . 22.79 108.663 176.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 74' ' ' ILE . . . . . . . . . . . . . 42.9 mm -111.57 125.92 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.399 -0.593 . . . . 16.55 109.399 178.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.51 126.25 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.469 0.544 . . . . 13.63 112.469 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -106.25 114.61 28.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 105.627 -1.99 . . . . 18.6 105.627 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 p -118.82 4.72 11.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.364 1.987 . . . . 15.39 116.364 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 78' ' ' SER . . . . . . . . . . . . . 7.7 t -54.33 -36.49 63.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.479 1.659 . . . . 22.43 115.479 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 79' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' M' ' 149' ' ' HOH . 9.1 m120 -95.88 28.22 3.2 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.902 0.334 . . . . 26.81 111.902 -179.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' M' M ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.84 163.46 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.097 0.475 . . . . 18.72 112.233 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.78 -40.72 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.625 -0.716 . . . . 23.9 109.667 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 82' ' ' LEU . . . . . . . . . . . . . 37.4 tp -56.34 -38.95 72.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 14.19 110.699 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.46 93.43 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.604 -0.808 . . . . 15.3 111.298 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 84' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.85 -36.58 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.731 -0.388 . . . . 30.99 109.993 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.74 -51.53 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.153 0.797 . . . . 23.83 113.153 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -73.66 -27.82 61.45 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 115.103 1.519 . . . . 17.64 115.103 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.36 21.73 66.55 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.039 -1.077 . . . . 17.3 113.617 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 88' ' ' VAL . . . . . . . . . . . . . 34.8 m -138.06 154.62 74.34 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 16.75 109.362 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 89' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.81 -26.25 5.68 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 O-C-N 121.912 0.427 . . . . 15.64 112.997 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -162.38 171.14 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 13.54 111.795 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 91' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -167.98 161.09 12.62 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.959 -0.564 . . . . 12.12 110.41 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -101.12 141.9 33.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.476 -1.305 . . . . 12.04 107.476 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.97 -19.83 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.621 -0.263 . . . . 16.36 110.541 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.69 -5.87 57.62 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.361 0.874 . . . . 32.82 113.361 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 95' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.04 71.06 8.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.877 -0.786 . . . . 12.66 108.877 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -56.57 -49.44 74.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 115.594 1.701 . . . . 18.9 115.594 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -59.4 -43.32 93.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.701 -0.8 . . . . 32.01 110.513 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -62.12 -47.65 83.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 11.92 111.305 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 99' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.15 -45.65 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 120.663 -0.415 . . . . 11.2 111.895 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 100' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.25 -48.47 79.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.108 -0.637 . . . . 18.45 111.341 178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 101' ' ' THR . . . . . . . . . . . . . 63.8 p -61.41 -39.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.001 -0.68 . . . . 19.28 112.015 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 102' ' ' MET . . . . . . . . . . . . . 31.9 mmt -66.37 -37.56 85.57 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.255 -0.578 . . . . 23.17 110.262 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 103' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.65 -44.63 89.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.845 -0.428 . . . . 10.25 109.845 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 104' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -60.29 -33.99 73.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.945 -0.302 . . . . 15.83 111.511 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.86 -7.22 32.52 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.754 0.311 . . . . 13.54 111.78 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 106' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -115.31 19.99 15.17 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.325 1.232 . . . . 17.45 114.325 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 pp -158.02 176.48 12.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.338 -0.392 . . . . 11.67 110.589 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 108' ' ' VAL . . . . . . . . . . . . . 51.4 t -125.15 135.25 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 106.957 -1.497 . . . . 13.61 106.957 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 109' ' ' VAL . . . . . . . . . . . . . 96.0 t -83.15 136.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.473 -0.936 . . . . 16.24 108.473 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 110' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.311 -0.852 . . . . 25.07 109.934 179.61 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 18' ' ' ARG . . . . . 0.535 ' N ' ' NE2' ' M' ' 72' ' ' GLN . 56.9 mtt-85 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 112.33 0.493 . . . . 47.82 112.33 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -51.13 -44.64 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.878 -0.416 . . . . 25.52 109.878 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 68.8 mmm -59.17 -33.29 70.76 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 113.499 0.925 . . . . 34.19 113.499 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.23 -37.19 86.25 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.435 -0.506 . . . . 35.45 110.101 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.11 -38.89 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.52 . . . . 26.42 110.956 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -66.44 -28.52 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.286 0.476 . . . . 24.73 112.286 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.23 -18.77 59.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 40.12 111.479 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.37 -20.46 79.89 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 117.119 1.608 . . . . 30.11 117.119 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.072 -0.966 . . . . 32.82 111.55 -179.851 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 126' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 149' ' ' HOH . . . . . 0.483 ' O ' ' ND2' ' M' ' 79' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 159' ' ' HOH . . . . . 0.4 ' O ' ' N ' ' M' ' 23' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' M' ' 159' ' ' HOH . 8.7 pt-20 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 111.629 0.233 . . . . 34.240000000000002 111.629 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 24' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.99 -17.42 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.171 0.804 . . . . 32.700000000000003 113.171 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -56.64 149.21 18.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.487 -0.19 . . . . 29.370000000000001 110.487 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 26' ' ' THR . . . . . . . . . . . . . 97.7 m -124.0 126.81 46.92 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.217 -0.661 . . . . 13.19 109.217 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.345 -1.354 . . . . 24.420000000000002 107.345 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.65 160.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 114.865 1.431 . . . . 11.9 114.865 -178.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 29' ' ' ARG . . . . . 0.478 ' HE ' HG22 ' M' ' 47' ' ' THR . 98.5 mtt180 -126.29 113.52 23.57 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 104.916 -2.253 . . . . 39.82 104.916 177.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -71.97 144.85 43.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.367 2.712 . . . . 11.630000000000001 113.646 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 31' ' ' LYS . . . . . 0.632 ' HD3' ' HA ' ' M' ' 106' ' ' ASN . 60.2 mtpt -70.78 163.96 59.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 106.15 -1.796 . . . . 23.469999999999999 106.15 178.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 32' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -40.94 -55.23 2.13 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.518 2.145 . . . . 14.550000000000001 117.51 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 33' ' ' LEU . . . . . 0.828 ' HB3' HD21 ' M' ' 85' ' ' LEU . 3.9 mp -65.37 -35.77 81.97 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 114.22 1.193 . . . . 24.550000000000001 114.22 -179.15 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.28 -37.23 74.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.125 -1.065 . . . . 13.42 108.125 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 35' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' M' ' 39' ' ' LYS . 0.3 OUTLIER -59.75 -42.79 94.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.887 -1.153 . . . . 19.98 107.887 178.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' M' M ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.86 -43.16 94.83 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.187 -0.672 . . . . 33.289999999999999 109.187 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -59.36 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.942 -1.132 . . . . 25.579999999999998 107.942 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -55.43 -41.03 72.26 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 114.215 1.191 . . . . 17.219999999999999 114.215 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 39' ' ' LYS . . . . . 0.418 ' CD ' HD22 ' M' ' 35' ' ' LEU . 57.8 mtpt -67.65 -23.21 65.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.162 1.171 . . . . 26.489999999999998 114.162 -179.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 40' ' ' SER . . . . . . . . . . . . . 53.3 p -71.4 -20.84 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.115 -0.634 . . . . 20.030000000000001 112.179 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 41' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.77 -15.39 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 114.306 1.224 . . . . 15.06 114.306 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.24 -167.56 11.24 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 119.789 -1.196 . . . . 19.02 114.337 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.58 154.03 22.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.299 0.571 . . . . 18.399999999999999 112.193 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -87.27 132.25 33.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.925 -1.509 . . . . 35.710000000000001 106.925 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -142.28 154.19 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.928 -1.508 . . . . 33.880000000000003 106.928 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 46' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.99 -41.63 77.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.441 -0.948 . . . . 34.850000000000001 108.441 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 47' ' ' THR . . . . . 0.478 HG22 ' HE ' ' M' ' 29' ' ' ARG . 32.9 p -133.61 146.92 51.38 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.214 -0.448 . . . . 22.039999999999999 110.46 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -126.94 168.68 14.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.436 -1.32 . . . . 14.93 107.436 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -99.73 156.23 17.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 103.44 -2.8 . . . . 14.42 103.44 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 50' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.39 -37.93 76.27 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.336 -0.616 . . . . 21.530000000000001 109.336 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 51' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' M' ' 155' ' ' HOH . 28.1 mtpp -58.09 -43.34 87.04 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.689 -0.232 . . . . 33.770000000000003 110.461 179.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 52' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.9 -46.43 87.84 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.24 0.543 . . . . 26.48 110.482 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 53' ' ' VAL . . . . . . . . . . . . . 77.2 t -58.82 -47.37 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 12.0 110.965 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 54' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.2 -44.72 94.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.792 0.329 . . . . 14.32 110.311 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.22 -50.58 73.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 14.140000000000001 111.454 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.66 -40.12 93.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.056 0.761 . . . . 18.91 113.056 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.35 -40.01 92.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.636 -0.505 . . . . 15.859999999999999 109.636 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.34 96.43 Favored Glycine 0 CA--C 1.516 0.148 0 N-CA-C 109.541 -1.424 . . . . 13.24 109.541 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 59' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.24 -34.22 77.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.325 0.491 . . . . 17.77 112.325 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 60' ' ' TYR . . . . . 0.429 ' O ' HG22 ' M' ' 63' ' ' THR . 77.7 t80 -65.96 -48.08 72.5 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.91 . . . . 15.130000000000001 108.544 179.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 61' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.62 -45.59 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.052 -0.722 . . . . 15.16 109.052 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 62' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' P' ' 20' ' ' MET . 72.9 mtp -62.74 -52.48 63.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.713 0.634 . . . . 30.699999999999999 112.713 179.808 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 63' ' ' THR . . . . . 0.429 HG22 ' O ' ' M' ' 60' ' ' TYR . 6.1 t -58.39 -33.05 69.19 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 26.600000000000001 111.72 -178.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -92.4 2.43 56.66 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.514 0.931 . . . . 27.460000000000001 113.514 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 65' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 48.4 48.52 19.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 40.299999999999997 111.67 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 66' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.78 -15.14 59.31 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.114 0.783 . . . . 15.050000000000001 113.114 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 67' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -82.58 163.57 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.143 0.497 . . . . 25.690000000000001 111.493 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 68' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -80.85 123.37 28.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 105.751 -1.944 . . . . 14.529999999999999 105.751 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -54.76 -36.24 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.245 -0.434 . . . . 30.98 111.356 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 70' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -90.77 -1.05 57.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.476 1.658 . . . . 29.260000000000002 115.476 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 71' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' M' ' 74' ' ' ILE . 10.9 tt0 -159.63 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 103.893 -2.632 . . . . 14.77 103.893 178.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 72' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.99 -1.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 119.432 3.123 . . . . 17.199999999999999 119.432 -175.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 73' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -94.64 4.11 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.388 -0.925 . . . . 22.789999999999999 108.663 176.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 74' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' M' ' 71' ' ' GLN . 42.9 mm -111.57 125.92 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.399 -0.593 . . . . 16.550000000000001 109.399 178.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.51 126.25 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.469 0.544 . . . . 13.630000000000001 112.469 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -106.25 114.61 28.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 105.627 -1.99 . . . . 18.600000000000001 105.627 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 p -118.82 4.72 11.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.364 1.987 . . . . 15.390000000000001 116.364 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 78' ' ' SER . . . . . . . . . . . . . 7.7 t -54.33 -36.49 63.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.479 1.659 . . . . 22.43 115.479 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.88 28.22 3.2 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.902 0.334 . . . . 26.809999999999999 111.902 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.84 163.46 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.097 0.475 . . . . 18.719999999999999 112.233 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.78 -40.72 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.625 -0.716 . . . . 23.899999999999999 109.667 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 82' ' ' LEU . . . . . . . . . . . . . 37.4 tp -56.34 -38.95 72.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 14.19 110.699 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.46 93.43 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.604 -0.808 . . . . 15.300000000000001 111.298 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 84' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.85 -36.58 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.731 -0.388 . . . . 30.989999999999998 109.993 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 85' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' M' ' 33' ' ' LEU . 70.4 mt -69.74 -51.53 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.153 0.797 . . . . 23.829999999999998 113.153 179.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -73.66 -27.82 61.45 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 115.103 1.519 . . . . 17.640000000000001 115.103 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.36 21.73 66.55 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.039 -1.077 . . . . 17.300000000000001 113.617 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 88' ' ' VAL . . . . . . . . . . . . . 34.8 m -138.06 154.62 74.34 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 16.75 109.362 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 89' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.81 -26.25 5.68 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 O-C-N 121.912 0.427 . . . . 15.640000000000001 112.997 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -162.38 171.14 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 13.539999999999999 111.795 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 91' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -167.98 161.09 12.62 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.959 -0.564 . . . . 12.119999999999999 110.41 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -101.12 141.9 33.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.476 -1.305 . . . . 12.039999999999999 107.476 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.97 -19.83 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.621 -0.263 . . . . 16.359999999999999 110.541 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.69 -5.87 57.62 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.361 0.874 . . . . 32.82 113.361 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 95' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.04 71.06 8.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.877 -0.786 . . . . 12.66 108.877 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 96' ' ' HIS . . . . . 0.559 ' CD2' HD23 ' P' ' 26' ' ' LEU . 39.2 m170 -56.57 -49.44 74.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 115.594 1.701 . . . . 18.899999999999999 115.594 -178.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 97' ' ' ARG . . . . . 0.575 ' O ' HG23 ' M' ' 101' ' ' THR . 11.5 ttm-85 -59.4 -43.32 93.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.701 -0.8 . . . . 32.009999999999998 110.513 -179.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 98' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' M' ' 102' ' ' MET . 40.9 ttmt -62.12 -47.65 83.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 11.92 111.305 -179.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 99' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.15 -45.65 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 120.663 -0.415 . . . . 11.199999999999999 111.895 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 100' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.25 -48.47 79.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.108 -0.637 . . . . 18.449999999999999 111.341 178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 101' ' ' THR . . . . . 0.575 HG23 ' O ' ' M' ' 97' ' ' ARG . 63.8 p -61.41 -39.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.001 -0.68 . . . . 19.280000000000001 112.015 -179.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 102' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' M' ' 98' ' ' LYS . 31.9 mmt -66.37 -37.56 85.57 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.255 -0.578 . . . . 23.170000000000002 110.262 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 103' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.65 -44.63 89.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.845 -0.428 . . . . 10.25 109.845 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 104' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -60.29 -33.99 73.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.945 -0.302 . . . . 15.83 111.511 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.86 -7.22 32.52 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.754 0.311 . . . . 13.539999999999999 111.78 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 106' ' ' ASN . . . . . 0.632 ' HA ' ' HD3' ' M' ' 31' ' ' LYS . 63.0 m-80 -115.31 19.99 15.17 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.325 1.232 . . . . 17.449999999999999 114.325 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 107' ' ' LEU . . . . . 0.441 HD12 ' C ' ' M' ' 107' ' ' LEU . 4.1 pp -158.02 176.48 12.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.338 -0.392 . . . . 11.67 110.589 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 108' ' ' VAL . . . . . . . . . . . . . 51.4 t -125.15 135.25 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 106.957 -1.497 . . . . 13.609999999999999 106.957 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 109' ' ' VAL . . . . . . . . . . . . . 96.0 t -83.15 136.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.473 -0.936 . . . . 16.239999999999998 108.473 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 110' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.311 -0.852 . . . . 25.07 109.934 179.61 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 18' ' ' ARG . . . . . 0.496 HH11 ' HG2' ' P' ' 18' ' ' ARG . 56.9 mtt-85 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 112.33 0.493 . . . . 47.82 112.33 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -51.13 -44.64 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.878 -0.416 . . . . 25.52 109.878 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 20' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' P' ' 24' ' ' GLU . 68.8 mmm -59.17 -33.29 70.76 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 113.499 0.925 . . . . 34.189999999999998 113.499 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.23 -37.19 86.25 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.435 -0.506 . . . . 35.450000000000003 110.101 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.11 -38.89 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.52 . . . . 26.420000000000002 110.956 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -66.44 -28.52 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.286 0.476 . . . . 24.73 112.286 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 24' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' P' ' 20' ' ' MET . 43.2 mt-10 -61.23 -18.77 59.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 40.119999999999997 111.479 179.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.37 -20.46 79.89 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 117.119 1.608 . . . . 30.109999999999999 117.119 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 26' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' M' ' 96' ' ' HIS . 92.2 mt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.072 -0.966 . . . . 32.82 111.55 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 126' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 155' ' ' HOH . . . . . 0.429 ' O ' ' HG3' ' M' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 159' ' ' HOH . . . . . 0.4 ' O ' ' N ' ' M' ' 23' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' M' ' 159' ' ' HOH . 8.7 pt-20 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 111.629 0.233 . . . . 34.24 111.629 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 24' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.99 -17.42 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.171 0.804 . . . . 32.7 113.171 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 25' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -56.64 149.21 18.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.487 -0.19 . . . . 29.37 110.487 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 26' ' ' THR . . . . . . . . . . . . . 97.7 m -124.0 126.81 46.92 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.217 -0.661 . . . . 13.19 109.217 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tp -100.68 133.78 44.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.345 -1.354 . . . . 24.42 107.345 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.65 160.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 114.865 1.431 . . . . 11.9 114.865 -178.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 29' ' ' ARG . . . . . 0.478 ' HE ' HG22 ' M' ' 47' ' ' THR . 98.5 mtt180 -126.29 113.52 23.57 Favored Pre-proline 0 N--CA 1.451 -0.411 0 N-CA-C 104.916 -2.253 . . . . 39.82 104.916 177.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -71.97 144.85 43.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.367 2.712 . . . . 11.63 113.646 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 31' ' ' LYS . . . . . 0.632 ' HD3' ' HA ' ' M' ' 106' ' ' ASN . 60.2 mtpt -70.78 163.96 59.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 106.15 -1.796 . . . . 23.47 106.15 178.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 32' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -40.94 -55.23 2.13 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.518 2.145 . . . . 14.55 117.51 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 33' ' ' LEU . . . . . 0.828 ' HB3' HD21 ' M' ' 85' ' ' LEU . 3.9 mp -65.37 -35.77 81.97 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 114.22 1.193 . . . . 24.55 114.22 -179.15 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 tp -70.28 -37.23 74.81 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.125 -1.065 . . . . 13.42 108.125 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 35' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' M' ' 39' ' ' LYS . 0.3 OUTLIER -59.75 -42.79 94.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.887 -1.153 . . . . 19.98 107.887 178.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' M' M ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -59.86 -43.16 94.83 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.187 -0.672 . . . . 33.29 109.187 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -59.36 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.942 -1.132 . . . . 25.58 107.942 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -55.43 -41.03 72.26 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 114.215 1.191 . . . . 17.22 114.215 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 39' ' ' LYS . . . . . 0.418 ' CD ' HD22 ' M' ' 35' ' ' LEU . 57.8 mtpt -67.65 -23.21 65.31 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.162 1.171 . . . . 26.49 114.162 -179.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 40' ' ' SER . . . . . . . . . . . . . 53.3 p -71.4 -20.84 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.115 -0.634 . . . . 20.03 112.179 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 41' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.77 -15.39 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 114.306 1.224 . . . . 15.06 114.306 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.24 -167.56 11.24 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 119.789 -1.196 . . . . 19.02 114.337 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.58 154.03 22.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.299 0.571 . . . . 18.4 112.193 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -87.27 132.25 33.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.925 -1.509 . . . . 35.71 106.925 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -142.28 154.19 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 106.928 -1.508 . . . . 33.88 106.928 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 46' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.99 -41.63 77.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.441 -0.948 . . . . 34.85 108.441 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 47' ' ' THR . . . . . 0.478 HG22 ' HE ' ' M' ' 29' ' ' ARG . 32.9 p -133.61 146.92 51.38 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.214 -0.448 . . . . 22.04 110.46 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -126.94 168.68 14.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.436 -1.32 . . . . 14.93 107.436 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -99.73 156.23 17.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 103.44 -2.8 . . . . 14.42 103.44 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 50' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.39 -37.93 76.27 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.336 -0.616 . . . . 21.53 109.336 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 51' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' M' ' 155' ' ' HOH . 28.1 mtpp -58.09 -43.34 87.04 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.689 -0.232 . . . . 33.77 110.461 179.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 52' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.9 -46.43 87.84 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.24 0.543 . . . . 26.48 110.482 179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 53' ' ' VAL . . . . . . . . . . . . . 77.2 t -58.82 -47.37 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 12.0 110.965 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 54' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.2 -44.72 94.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.792 0.329 . . . . 14.32 110.311 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.22 -50.58 73.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 14.14 111.454 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.66 -40.12 93.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.056 0.761 . . . . 18.91 113.056 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.35 -40.01 92.7 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.636 -0.505 . . . . 15.86 109.636 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.34 96.43 Favored Glycine 0 CA--C 1.516 0.148 0 N-CA-C 109.541 -1.424 . . . . 13.24 109.541 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 59' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.24 -34.22 77.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.325 0.491 . . . . 17.77 112.325 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 60' ' ' TYR . . . . . 0.429 ' O ' HG22 ' M' ' 63' ' ' THR . 77.7 t80 -65.96 -48.08 72.5 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.544 -0.91 . . . . 15.13 108.544 179.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 61' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.62 -45.59 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.052 -0.722 . . . . 15.16 109.052 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 62' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' P' ' 20' ' ' MET . 72.9 mtp -62.74 -52.48 63.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.713 0.634 . . . . 30.7 112.713 179.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 63' ' ' THR . . . . . 0.429 HG22 ' O ' ' M' ' 60' ' ' TYR . 6.1 t -58.39 -33.05 69.19 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.402 -0.519 . . . . 26.6 111.72 -178.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -92.4 2.43 56.66 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.514 0.931 . . . . 27.46 113.514 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 65' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 48.4 48.52 19.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.415 . . . . 40.3 111.67 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 66' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.78 -15.14 59.31 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.114 0.783 . . . . 15.05 113.114 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 67' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -82.58 163.57 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.143 0.497 . . . . 25.69 111.493 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 68' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -80.85 123.37 28.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 105.751 -1.944 . . . . 14.53 105.751 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -54.76 -36.24 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.245 -0.434 . . . . 30.98 111.356 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 70' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -90.77 -1.05 57.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.476 1.658 . . . . 29.26 115.476 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 71' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' M' ' 74' ' ' ILE . 48.2 tt0 -159.63 72.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 103.893 -2.632 . . . . 14.77 103.893 178.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 72' ' ' GLN . . . . . 0.535 ' NE2' ' N ' ' P' ' 18' ' ' ARG . 14.8 mt-30 -61.99 -1.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 119.432 3.123 . . . . 17.2 119.432 -175.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 73' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -94.64 4.11 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.388 -0.925 . . . . 22.79 108.663 176.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 74' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' M' ' 71' ' ' GLN . 42.9 mm -111.57 125.92 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.399 -0.593 . . . . 16.55 109.399 178.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.51 126.25 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.469 0.544 . . . . 13.63 112.469 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 76' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -106.25 114.61 28.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 105.627 -1.99 . . . . 18.6 105.627 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 77' ' ' CYS . . . . . . . . . . . . . 5.9 p -118.82 4.72 11.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.364 1.987 . . . . 15.39 116.364 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 78' ' ' SER . . . . . . . . . . . . . 7.7 t -54.33 -36.49 63.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 115.479 1.659 . . . . 22.43 115.479 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.88 28.22 3.2 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.902 0.334 . . . . 26.81 111.902 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.84 163.46 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.097 0.475 . . . . 18.72 112.233 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.78 -40.72 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.625 -0.716 . . . . 23.9 109.667 178.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 82' ' ' LEU . . . . . . . . . . . . . 37.4 tp -56.34 -38.95 72.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 14.19 110.699 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.36 -36.46 93.43 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.604 -0.808 . . . . 15.3 111.298 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 84' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.85 -36.58 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.731 -0.388 . . . . 30.99 109.993 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 85' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' M' ' 33' ' ' LEU . 70.4 mt -69.74 -51.53 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.153 0.797 . . . . 23.83 113.153 179.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -73.66 -27.82 61.45 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 115.103 1.519 . . . . 17.64 115.103 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.36 21.73 66.55 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.039 -1.077 . . . . 17.3 113.617 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 88' ' ' VAL . . . . . . . . . . . . . 34.8 m -138.06 154.62 74.34 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.362 -0.607 . . . . 16.75 109.362 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 89' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.81 -26.25 5.68 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 O-C-N 121.912 0.427 . . . . 15.64 112.997 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -162.38 171.14 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 13.54 111.795 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 91' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -167.98 161.09 12.62 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.959 -0.564 . . . . 12.12 110.41 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -101.12 141.9 33.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.476 -1.305 . . . . 12.04 107.476 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.97 -19.83 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.621 -0.263 . . . . 16.36 110.541 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.69 -5.87 57.62 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.361 0.874 . . . . 32.82 113.361 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 95' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.04 71.06 8.49 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.877 -0.786 . . . . 12.66 108.877 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 96' ' ' HIS . . . . . 0.433 ' HE1' ' O ' ' P' ' 28' ' ' HOH . 1.8 m-70 -56.57 -49.44 74.87 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 115.594 1.701 . . . . 18.9 115.594 -178.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 97' ' ' ARG . . . . . 0.575 ' O ' HG23 ' M' ' 101' ' ' THR . 11.5 ttm-85 -59.4 -43.32 93.01 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.701 -0.8 . . . . 32.01 110.513 -179.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 98' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' M' ' 102' ' ' MET . 40.9 ttmt -62.12 -47.65 83.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 11.92 111.305 -179.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 99' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.15 -45.65 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 120.663 -0.415 . . . . 11.2 111.895 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 100' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -62.25 -48.47 79.82 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.108 -0.637 . . . . 18.45 111.341 178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 101' ' ' THR . . . . . 0.575 HG23 ' O ' ' M' ' 97' ' ' ARG . 63.8 p -61.41 -39.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.001 -0.68 . . . . 19.28 112.015 -179.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 102' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' M' ' 98' ' ' LYS . 31.9 mmt -66.37 -37.56 85.57 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.255 -0.578 . . . . 23.17 110.262 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 103' ' ' ILE . . . . . . . . . . . . . 83.9 mt -66.65 -44.63 89.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.845 -0.428 . . . . 10.25 109.845 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 104' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -60.29 -33.99 73.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.945 -0.302 . . . . 15.83 111.511 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 105' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.86 -7.22 32.52 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.754 0.311 . . . . 13.54 111.78 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 106' ' ' ASN . . . . . 0.632 ' HA ' ' HD3' ' M' ' 31' ' ' LYS . 21.9 m120 -115.31 19.99 15.17 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.325 1.232 . . . . 17.45 114.325 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 107' ' ' LEU . . . . . 0.441 ' C ' HD12 ' M' ' 107' ' ' LEU . 4.1 pp -158.02 176.48 12.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.338 -0.392 . . . . 11.67 110.589 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 108' ' ' VAL . . . . . . . . . . . . . 51.4 t -125.15 135.25 64.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 106.957 -1.497 . . . . 13.61 106.957 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 109' ' ' VAL . . . . . . . . . . . . . 96.0 t -83.15 136.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.473 -0.936 . . . . 16.24 108.473 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 110' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.311 -0.852 . . . . 25.07 109.934 179.61 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 18' ' ' ARG . . . . . 0.535 ' N ' ' NE2' ' M' ' 72' ' ' GLN . 56.9 mtt-85 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 112.33 0.493 . . . . 47.82 112.33 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.422 ' H ' ' NE2' ' M' ' 72' ' ' GLN . 67.8 t80 -51.13 -44.64 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.878 -0.416 . . . . 25.52 109.878 178.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 20' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' P' ' 24' ' ' GLU . 68.8 mmm -59.17 -33.29 70.76 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 113.499 0.925 . . . . 34.19 113.499 -179.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 21' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.23 -37.19 86.25 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.435 -0.506 . . . . 35.45 110.101 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 22' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.11 -38.89 26.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.52 . . . . 26.42 110.956 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -66.44 -28.52 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.286 0.476 . . . . 24.73 112.286 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 24' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' P' ' 20' ' ' MET . 43.2 mt-10 -61.23 -18.77 59.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 40.12 111.479 179.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.37 -20.46 79.89 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 117.119 1.608 . . . . 30.11 117.119 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.072 -0.966 . . . . 32.82 111.55 -179.851 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 126' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 155' ' ' HOH . . . . . 0.429 ' O ' ' HG3' ' M' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 159' ' ' HOH . . . . . 0.4 ' O ' ' N ' ' M' ' 23' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 28' ' ' HOH . . . . . 0.433 ' O ' ' HE1' ' M' ' 96' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_