data_4gje_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 4gje _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 103.726 -2.694 . . . . 53.28 103.726 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.64 132.86 54.52 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 103.95 -2.611 . . . . 51.78 103.95 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.25 -28.4 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 116.932 2.197 . . . . 46.03 116.932 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.721 ' CA ' ' O ' ' A' ' 216' ' ' HOH . . . -64.74 -48.03 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 C-N-CA 116.151 -2.219 . . . . 47.62 109.18 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -54.63 -36.28 64.34 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.725 -1.58 . . . . 46.77 110.645 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -52.35 -27.62 16.23 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.612 0.967 . . . . 50.38 113.612 -170.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.54 -3.68 15.86 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 118.178 2.658 . . . . 41.43 118.178 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.04 77.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 116.296 -2.162 . . . . 33.22 106.127 149.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.28 -23.32 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 121.104 -0.238 . . . . 36.18 111.289 -167.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.74 -10.84 51.31 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 113.44 0.904 . . . . 50.91 113.44 173.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -77.89 -14.14 59.65 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.609 -0.682 . . . . 40.15 110.873 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.4 mt -101.44 142.56 32.64 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.366 -0.605 . . . . 31.2 109.366 -170.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.5 p -79.39 160.54 26.64 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 109.187 -0.671 . . . . 33.45 109.187 171.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -53.69 -40.48 66.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.445 -0.946 . . . . 54.48 108.445 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . 0.869 ' OE2' ' C ' ' A' ' 108' ' ' ACT . 60.6 tt0 -66.39 -39.94 89.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.169 -1.012 . . . . 37.81 113.3 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -61.13 -44.51 97.22 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.31 -0.956 . . . . 32.94 110.34 173.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . 0.894 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 65.6 mttt -59.08 -40.18 84.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 117.661 -1.616 . . . . 41.1 112.682 179.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -65.47 -45.87 82.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.115 -0.698 . . . . 45.93 109.115 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.8 -43.14 98.54 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 122.324 1.059 . . . . 33.69 110.546 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -65.84 -39.08 90.46 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 119.34 -0.944 . . . . 22.11 110.79 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -63.32 -40.33 97.02 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.084 -0.962 . . . . 45.27 110.9 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.3 75.42 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 119.526 -0.869 . . . . 23.99 111.254 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.23 -46.72 48.57 Favored 'General case' 0 C--O 1.204 -1.314 0 O-C-N 123.609 0.568 . . . . 21.21 110.229 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.96 -40.78 70.36 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.186 -0.915 . . . . 20.14 109.902 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -66.5 -20.86 66.14 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 112.516 0.561 . . . . 33.99 112.516 -174.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.6 -23.73 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.577 0 O-C-N 121.919 -0.488 . . . . 32.82 110.6 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -110.09 21.97 16.15 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.795 0.665 . . . . 22.62 112.795 -170.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.82 155.85 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 105.441 -2.059 . . . . 29.63 105.441 173.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 tp -88.68 87.89 7.41 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 106.152 -1.795 . . . . 35.73 106.152 162.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.82 -21.75 55.97 Favored Glycine 0 N--CA 1.493 2.445 0 CA-C-O 122.469 1.039 . . . . 32.03 114.425 -165.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.28 -14.11 62.75 Favored 'General case' 0 C--O 1.252 1.236 0 C-N-CA 119.273 -0.971 . . . . 34.36 112.556 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.55 5.86 1.43 Allowed 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 117.83 2.53 . . . . 46.06 117.83 172.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -139.47 131.29 27.56 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.445 -0.902 . . . . 24.21 110.849 -171.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.39 -3.53 44.08 Favored Glycine 0 C--O 1.198 -2.1 0 N-CA-C 116.456 1.342 . . . . 21.1 116.456 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.55 146.28 49.52 Favored 'General case' 0 C--O 1.258 1.516 0 CA-C-N 117.859 0.83 . . . . 18.75 111.996 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -94.96 165.63 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 O-C-N 126.546 2.404 . . . . 21.43 108.638 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -79.29 162.86 25.35 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.546 1.165 . . . . 22.77 111.163 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -67.5 -27.15 66.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 117.875 -1.53 . . . . 33.77 110.344 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -62.52 -41.33 98.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.806 0.669 . . . . 40.03 112.806 170.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -72.6 -22.7 60.93 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 113.355 0.872 . . . . 24.49 113.355 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -53.6 -51.86 61.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 119.972 -0.691 . . . . 23.88 110.233 -174.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.79 -28.13 73.35 Favored Glycine 0 C--O 1.208 -1.482 0 C-N-CA 117.618 -2.23 . . . . 19.13 110.005 -175.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -67.69 -42.2 82.45 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.307 1.053 . . . . 32.41 112.177 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -69.84 -38.32 75.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 C-N-CA 119.27 -0.972 . . . . 24.11 109.26 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.8 -38.02 89.58 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 118.632 -1.227 . . . . 22.02 108.656 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -71.23 -30.93 66.95 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.116 0.414 . . . . 31.43 112.116 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.4 ttt -62.64 -29.42 70.61 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.669 0.747 . . . . 41.77 110.952 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -93.7 6.3 48.77 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.241 -0.891 . . . . 26.96 112.567 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.67 6.61 60.72 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 118.407 2.123 . . . . 22.73 118.407 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -98.47 156.34 16.82 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 120.103 -0.639 . . . . 23.7 110.447 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.02 59.09 43.78 Favored Pre-proline 0 CA--C 1.546 0.806 0 O-C-N 120.936 -1.103 . . . . 30.99 111.142 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -64.97 141.45 70.7 Favored 'Trans proline' 0 C--O 1.211 -0.867 0 C-N-CA 118.392 -0.605 . . . . 22.7 111.997 -173.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -80.59 157.37 72.4 Favored Pre-proline 0 C--O 1.271 2.198 0 N-CA-C 108.478 -0.934 . . . . 31.48 108.478 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -58.79 -39.37 82.46 Favored 'Trans proline' 0 N--CA 1.482 0.835 0 CA-C-O 118.682 -0.633 . . . . 32.34 113.564 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -67.23 -33.12 74.67 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 118.34 -1.344 . . . . 35.07 109.287 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.01 -45.17 74.77 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.317 -0.953 . . . . 27.02 109.921 -175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.9 mt -54.49 -43.64 71.94 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 119.637 -0.825 . . . . 27.78 110.811 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -66.69 -40.24 88.44 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.223 -0.991 . . . . 50.83 110.242 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.899 ' OE2' ' O ' ' A' ' 248' ' ' HOH . 15.4 tp10 -59.91 -45.97 90.83 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 112.223 0.453 . . . . 33.34 112.223 177.861 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.61 -41.59 96.1 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.411 -0.515 . . . . 31.33 110.942 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.5 -46.35 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.536 0 C-N-CA 118.295 -1.362 . . . . 34.21 112.472 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.0 -38.68 86.91 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.878 1.066 . . . . 41.45 113.878 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -88.88 -28.42 20.36 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.379 1.992 . . . . 29.7 116.379 -172.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -104.05 -32.53 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-N 117.87 0.305 . . . . 41.26 110.264 -171.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.14 141.31 58.81 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.123 -1.031 . . . . 45.46 113.194 -168.016 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 125.074 1.35 . . . . 46.49 112.234 -179.115 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.28 2.984 0 CA-C-O 119.872 -0.404 . . . . 35.68 112.709 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 27.4 p -139.64 153.36 47.3 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.021 1.119 . . . . 28.08 114.021 -173.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.1 124.33 30.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 O-C-N 122.106 -0.371 . . . . 20.35 110.388 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -97.94 -179.5 4.43 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.798 -0.761 . . . . 20.49 109.718 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -66.69 -42.45 86.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 118.294 -1.362 . . . . 25.72 113.27 -164.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -67.84 -38.56 83.32 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 118.048 -0.977 . . . . 23.13 110.934 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . 0.753 ' OE2' ' O ' ' A' ' 235' ' ' HOH . 87.9 mt-10 -58.41 -42.79 87.95 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 119.465 -0.894 . . . . 27.77 110.356 173.274 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.22 -44.41 88.16 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.532 -0.758 . . . . 23.82 112.292 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.75 -45.65 89.21 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 110.44 -0.207 . . . . 21.89 110.44 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.4 -41.88 93.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 C-N-CA 119.651 -0.82 . . . . 22.17 110.781 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.56 -40.35 92.72 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 120.327 -0.549 . . . . 29.47 111.872 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 82.3 mmm -58.73 -48.0 82.67 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 119.738 -0.785 . . . . 19.97 111.738 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.54 -45.13 94.21 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 C-N-CA 120.116 -0.634 . . . . 23.06 111.69 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -56.09 -47.9 77.13 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.249 0.547 . . . . 27.66 110.375 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.1 t -69.35 -30.96 69.1 Favored 'General case' 0 C--O 1.297 3.594 0 CA-C-N 116.077 -0.511 . . . . 19.0 112.326 -174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mtp -66.39 -19.56 65.83 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.725 -1.19 . . . . 25.29 109.892 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -88.0 6.06 37.8 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 114.355 1.242 . . . . 37.38 114.355 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -114.59 22.01 13.99 Favored 'General case' 0 C--O 1.249 1.047 0 C-N-CA 118.589 -1.244 . . . . 20.27 112.244 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.87 148.59 50.01 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.441 -0.903 . . . . 24.05 109.864 170.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.243 0.74 0 C-N-CA 123.409 0.683 . . . . 27.63 109.626 175.271 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CD' . . . . . 0.739 'CD ' ' O ' ' A' ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ACT . . . . . 0.869 ' C ' ' OE2' ' A' ' 15' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ' CA' . . . . . 0.671 'CA ' ' O ' ' A' ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.894 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . 0.721 ' O ' ' CA ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . 0.753 ' O ' ' OE2' ' A' ' 76' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . 0.899 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . 0.671 ' O ' 'CA ' ' A' ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.514 ' CE ' HG21 ' A' ' 9' ' ' VAL . 4.9 tpt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 103.726 -2.694 . . . . 53.280000000000001 103.726 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . 0.606 ' HB3' ' O ' ' A' ' 256' ' ' HOH . 34.0 m-20 -57.64 132.86 54.52 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 103.95 -2.611 . . . . 51.780000000000001 103.95 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.25 -28.4 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 116.932 2.197 . . . . 46.030000000000001 116.932 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . 0.893 ' HA ' ' O ' ' A' ' 216' ' ' HOH . . . -64.74 -48.03 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 C-N-CA 116.151 -2.219 . . . . 47.619999999999997 109.18 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -54.63 -36.28 64.34 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.725 -1.58 . . . . 46.770000000000003 110.645 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -52.35 -27.62 16.23 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.612 0.967 . . . . 50.380000000000003 113.612 -170.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.54 -3.68 15.86 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 118.178 2.658 . . . . 41.43 118.178 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.04 77.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 116.296 -2.162 . . . . 33.219999999999999 106.127 149.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG21 ' CE ' ' A' ' 1' ' ' MET . 78.4 t -70.28 -23.32 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 121.104 -0.238 . . . . 36.18 111.289 -167.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.74 -10.84 51.31 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 113.44 0.904 . . . . 50.909999999999997 113.44 173.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -77.89 -14.14 59.65 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.609 -0.682 . . . . 40.149999999999999 110.873 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.4 mt -101.44 142.56 32.64 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.366 -0.605 . . . . 31.199999999999999 109.366 -170.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.5 p -79.39 160.54 26.64 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 109.187 -0.671 . . . . 33.450000000000003 109.187 171.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -53.69 -40.48 66.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.445 -0.946 . . . . 54.479999999999997 108.445 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.869 ' OE2' ' C ' ' A' ' 108' ' ' ACT . 60.6 tt0 -66.39 -39.94 89.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.169 -1.012 . . . . 37.810000000000002 113.3 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -61.13 -44.51 97.22 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.31 -0.956 . . . . 32.939999999999998 110.34 173.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.882 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 65.6 mttt -59.08 -40.18 84.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 117.661 -1.616 . . . . 41.100000000000001 112.682 179.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -65.47 -45.87 82.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.115 -0.698 . . . . 45.93 109.115 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.8 -43.14 98.54 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 122.324 1.059 . . . . 33.689999999999998 110.546 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -65.84 -39.08 90.46 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 119.34 -0.944 . . . . 22.109999999999999 110.79 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -63.32 -40.33 97.02 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.084 -0.962 . . . . 45.270000000000003 110.9 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.3 75.42 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 119.526 -0.869 . . . . 23.989999999999998 111.254 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.23 -46.72 48.57 Favored 'General case' 0 C--O 1.204 -1.314 0 O-C-N 123.609 0.568 . . . . 21.210000000000001 110.229 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.96 -40.78 70.36 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.186 -0.915 . . . . 20.140000000000001 109.902 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -66.5 -20.86 66.14 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 112.516 0.561 . . . . 33.990000000000002 112.516 -174.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.6 -23.73 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.577 0 O-C-N 121.919 -0.488 . . . . 32.82 110.6 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 44' ' ' VAL . 92.0 m-85 -110.09 21.97 16.15 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.795 0.665 . . . . 22.620000000000001 112.795 -170.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.82 155.85 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 105.441 -2.059 . . . . 29.629999999999999 105.441 173.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 tp -88.68 87.89 7.41 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 106.152 -1.795 . . . . 35.729999999999997 106.152 162.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.82 -21.75 55.97 Favored Glycine 0 N--CA 1.493 2.445 0 CA-C-O 122.469 1.039 . . . . 32.030000000000001 114.425 -165.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.28 -14.11 62.75 Favored 'General case' 0 C--O 1.252 1.236 0 C-N-CA 119.273 -0.971 . . . . 34.359999999999999 112.556 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.55 5.86 1.43 Allowed 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 117.83 2.53 . . . . 46.060000000000002 117.83 172.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -139.47 131.29 27.56 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.445 -0.902 . . . . 24.210000000000001 110.849 -171.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.39 -3.53 44.08 Favored Glycine 0 C--O 1.198 -2.1 0 N-CA-C 116.456 1.342 . . . . 21.100000000000001 116.456 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.55 146.28 49.52 Favored 'General case' 0 C--O 1.258 1.516 0 CA-C-N 117.859 0.83 . . . . 18.75 111.996 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -94.96 165.63 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 O-C-N 126.546 2.404 . . . . 21.43 108.638 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -79.29 162.86 25.35 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.546 1.165 . . . . 22.77 111.163 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -67.5 -27.15 66.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 117.875 -1.53 . . . . 33.770000000000003 110.344 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -62.52 -41.33 98.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.806 0.669 . . . . 40.030000000000001 112.806 170.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -72.6 -22.7 60.93 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 113.355 0.872 . . . . 24.489999999999998 113.355 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -53.6 -51.86 61.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 119.972 -0.691 . . . . 23.879999999999999 110.233 -174.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.79 -28.13 73.35 Favored Glycine 0 C--O 1.208 -1.482 0 C-N-CA 117.618 -2.23 . . . . 19.129999999999999 110.005 -175.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -67.69 -42.2 82.45 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.307 1.053 . . . . 32.409999999999997 112.177 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 27' ' ' PHE . 5.6 t -69.84 -38.32 75.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 C-N-CA 119.27 -0.972 . . . . 24.109999999999999 109.26 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.8 -38.02 89.58 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 118.632 -1.227 . . . . 22.02 108.656 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -71.23 -30.93 66.95 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.116 0.414 . . . . 31.43 112.116 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.4 ttt -62.64 -29.42 70.61 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.669 0.747 . . . . 41.770000000000003 110.952 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -93.7 6.3 48.77 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.241 -0.891 . . . . 26.960000000000001 112.567 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.67 6.61 60.72 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 118.407 2.123 . . . . 22.73 118.407 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -98.47 156.34 16.82 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 120.103 -0.639 . . . . 23.699999999999999 110.447 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.02 59.09 43.78 Favored Pre-proline 0 CA--C 1.546 0.806 0 O-C-N 120.936 -1.103 . . . . 30.989999999999998 111.142 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -64.97 141.45 70.7 Favored 'Trans proline' 0 C--O 1.211 -0.867 0 C-N-CA 118.392 -0.605 . . . . 22.699999999999999 111.997 -173.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -80.59 157.37 72.4 Favored Pre-proline 0 C--O 1.271 2.198 0 N-CA-C 108.478 -0.934 . . . . 31.48 108.478 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -58.79 -39.37 82.46 Favored 'Trans proline' 0 N--CA 1.482 0.835 0 CA-C-O 118.682 -0.633 . . . . 32.340000000000003 113.564 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -67.23 -33.12 74.67 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 118.34 -1.344 . . . . 35.07 109.287 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.01 -45.17 74.77 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.317 -0.953 . . . . 27.02 109.921 -175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.9 mt -54.49 -43.64 71.94 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 119.637 -0.825 . . . . 27.780000000000001 110.811 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -66.69 -40.24 88.44 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.223 -0.991 . . . . 50.829999999999998 110.242 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.899 ' OE2' ' O ' ' A' ' 248' ' ' HOH . 15.4 tp10 -59.91 -45.97 90.83 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 112.223 0.453 . . . . 33.340000000000003 112.223 177.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.61 -41.59 96.1 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.411 -0.515 . . . . 31.329999999999998 110.942 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 47.0 mt -56.5 -46.35 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.536 0 C-N-CA 118.295 -1.362 . . . . 34.210000000000001 112.472 173.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.0 -38.68 86.91 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.878 1.066 . . . . 41.450000000000003 113.878 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -88.88 -28.42 20.36 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.379 1.992 . . . . 29.699999999999999 116.379 -172.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -104.05 -32.53 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-N 117.87 0.305 . . . . 41.259999999999998 110.264 -171.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -63.14 141.31 58.81 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.123 -1.031 . . . . 45.460000000000001 113.194 -168.016 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 125.074 1.35 . . . . 46.490000000000002 112.234 -179.115 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.28 2.984 0 CA-C-O 119.872 -0.404 . . . . 35.68 112.709 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 27.4 p -139.64 153.36 47.3 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.021 1.119 . . . . 28.079999999999998 114.021 -173.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.1 124.33 30.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 O-C-N 122.106 -0.371 . . . . 20.350000000000001 110.388 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -97.94 -179.5 4.43 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.798 -0.761 . . . . 20.489999999999998 109.718 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -66.69 -42.45 86.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 118.294 -1.362 . . . . 25.719999999999999 113.27 -164.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -67.84 -38.56 83.32 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 118.048 -0.977 . . . . 23.129999999999999 110.934 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . 0.753 ' OE2' ' O ' ' A' ' 235' ' ' HOH . 87.9 mt-10 -58.41 -42.79 87.95 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 119.465 -0.894 . . . . 27.77 110.356 173.274 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.22 -44.41 88.16 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.532 -0.758 . . . . 23.82 112.292 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.75 -45.65 89.21 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 110.44 -0.207 . . . . 21.890000000000001 110.44 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.4 -41.88 93.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 C-N-CA 119.651 -0.82 . . . . 22.170000000000002 110.781 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.56 -40.35 92.72 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 120.327 -0.549 . . . . 29.469999999999999 111.872 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 82.3 mmm -58.73 -48.0 82.67 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 119.738 -0.785 . . . . 19.969999999999999 111.738 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.54 -45.13 94.21 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 C-N-CA 120.116 -0.634 . . . . 23.059999999999999 111.69 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -56.09 -47.9 77.13 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.249 0.547 . . . . 27.66 110.375 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.1 t -69.35 -30.96 69.1 Favored 'General case' 0 C--O 1.297 3.594 0 CA-C-N 116.077 -0.511 . . . . 19.0 112.326 -174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mtp -66.39 -19.56 65.83 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.725 -1.19 . . . . 25.289999999999999 109.892 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -88.0 6.06 37.8 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 114.355 1.242 . . . . 37.380000000000003 114.355 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -114.59 22.01 13.99 Favored 'General case' 0 C--O 1.249 1.047 0 C-N-CA 118.589 -1.244 . . . . 20.27 112.244 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.87 148.59 50.01 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.441 -0.903 . . . . 24.050000000000001 109.864 170.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.243 0.74 0 C-N-CA 123.409 0.683 . . . . 27.629999999999999 109.626 175.271 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CD' . . . . . 0.739 'CD ' ' O ' ' A' ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ACT . . . . . 0.869 ' C ' ' OE2' ' A' ' 15' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ' CA' . . . . . 0.671 'CA ' ' O ' ' A' ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.882 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . 0.893 ' O ' ' HA ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . 0.753 ' O ' ' OE2' ' A' ' 76' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . 0.899 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . 0.671 ' O ' 'CA ' ' A' ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . 0.606 ' O ' ' HB3' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.514 ' CE ' HG21 ' A' ' 9' ' ' VAL . 4.9 tpt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 103.726 -2.694 . . . . 53.280000000000001 103.726 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.606 ' HB3' ' O ' ' A' ' 256' ' ' HOH . 34.0 m-20 -57.64 132.86 54.52 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 103.95 -2.611 . . . . 51.780000000000001 103.95 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -63.25 -28.4 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 116.932 2.197 . . . . 46.030000000000001 116.932 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.893 ' HA ' ' O ' ' A' ' 216' ' ' HOH . . . -64.74 -48.03 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 C-N-CA 116.151 -2.219 . . . . 47.619999999999997 109.18 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -54.63 -36.28 64.34 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 113.725 -1.58 . . . . 46.770000000000003 110.645 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -52.35 -27.62 16.23 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.612 0.967 . . . . 50.380000000000003 113.612 -170.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.54 -3.68 15.86 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 118.178 2.658 . . . . 41.43 118.178 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.04 77.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 116.296 -2.162 . . . . 33.219999999999999 106.127 149.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG21 ' CE ' ' A' ' 1' ' ' MET . 78.4 t -70.28 -23.32 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 121.104 -0.238 . . . . 36.18 111.289 -167.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.74 -10.84 51.31 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 113.44 0.904 . . . . 50.909999999999997 113.44 173.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -77.89 -14.14 59.65 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.609 -0.682 . . . . 40.149999999999999 110.873 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.4 mt -101.44 142.56 32.64 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 109.366 -0.605 . . . . 31.199999999999999 109.366 -170.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.5 p -79.39 160.54 26.64 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 109.187 -0.671 . . . . 33.450000000000003 109.187 171.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -53.69 -40.48 66.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.445 -0.946 . . . . 54.479999999999997 108.445 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.869 ' OE2' ' C ' ' A' ' 108' ' ' ACT . 60.6 tt0 -66.39 -39.94 89.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 119.169 -1.012 . . . . 37.810000000000002 113.3 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -61.13 -44.51 97.22 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 119.31 -0.956 . . . . 32.939999999999998 110.34 173.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.882 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 65.6 mttt -59.08 -40.18 84.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 117.661 -1.616 . . . . 41.100000000000001 112.682 179.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -65.47 -45.87 82.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.115 -0.698 . . . . 45.93 109.115 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.8 -43.14 98.54 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 122.324 1.059 . . . . 33.689999999999998 110.546 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -65.84 -39.08 90.46 Favored 'General case' 0 C--O 1.254 1.293 0 C-N-CA 119.34 -0.944 . . . . 22.109999999999999 110.79 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -63.32 -40.33 97.02 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.084 -0.962 . . . . 45.270000000000003 110.9 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.3 75.42 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 119.526 -0.869 . . . . 23.989999999999998 111.254 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.23 -46.72 48.57 Favored 'General case' 0 C--O 1.204 -1.314 0 O-C-N 123.609 0.568 . . . . 21.210000000000001 110.229 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.96 -40.78 70.36 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.186 -0.915 . . . . 20.140000000000001 109.902 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -66.5 -20.86 66.14 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 112.516 0.561 . . . . 33.990000000000002 112.516 -174.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.6 -23.73 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.577 0 O-C-N 121.919 -0.488 . . . . 32.82 110.6 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 44' ' ' VAL . 92.0 m-85 -110.09 21.97 16.15 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.795 0.665 . . . . 22.620000000000001 112.795 -170.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.82 155.85 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 105.441 -2.059 . . . . 29.629999999999999 105.441 173.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 tp -88.68 87.89 7.41 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 106.152 -1.795 . . . . 35.729999999999997 106.152 162.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.82 -21.75 55.97 Favored Glycine 0 N--CA 1.493 2.445 0 CA-C-O 122.469 1.039 . . . . 32.030000000000001 114.425 -165.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.28 -14.11 62.75 Favored 'General case' 0 C--O 1.252 1.236 0 C-N-CA 119.273 -0.971 . . . . 34.359999999999999 112.556 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.55 5.86 1.43 Allowed 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 117.83 2.53 . . . . 46.060000000000002 117.83 172.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -139.47 131.29 27.56 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 119.445 -0.902 . . . . 24.210000000000001 110.849 -171.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.39 -3.53 44.08 Favored Glycine 0 C--O 1.198 -2.1 0 N-CA-C 116.456 1.342 . . . . 21.100000000000001 116.456 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.1 p -134.55 146.28 49.52 Favored 'General case' 0 C--O 1.258 1.516 0 CA-C-N 117.859 0.83 . . . . 18.75 111.996 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -94.96 165.63 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 O-C-N 126.546 2.404 . . . . 21.43 108.638 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -79.29 162.86 25.35 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.546 1.165 . . . . 22.77 111.163 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -67.5 -27.15 66.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 117.875 -1.53 . . . . 33.770000000000003 110.344 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -62.52 -41.33 98.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.806 0.669 . . . . 40.030000000000001 112.806 170.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -72.6 -22.7 60.93 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 113.355 0.872 . . . . 24.489999999999998 113.355 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -53.6 -51.86 61.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 119.972 -0.691 . . . . 23.879999999999999 110.233 -174.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.79 -28.13 73.35 Favored Glycine 0 C--O 1.208 -1.482 0 C-N-CA 117.618 -2.23 . . . . 19.129999999999999 110.005 -175.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -67.69 -42.2 82.45 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.307 1.053 . . . . 32.409999999999997 112.177 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 27' ' ' PHE . 5.6 t -69.84 -38.32 75.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 C-N-CA 119.27 -0.972 . . . . 24.109999999999999 109.26 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.8 -38.02 89.58 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 118.632 -1.227 . . . . 22.02 108.656 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -71.23 -30.93 66.95 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.116 0.414 . . . . 31.43 112.116 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 25.4 ttt -62.64 -29.42 70.61 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.669 0.747 . . . . 41.770000000000003 110.952 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -93.7 6.3 48.77 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.241 -0.891 . . . . 26.960000000000001 112.567 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.67 6.61 60.72 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 118.407 2.123 . . . . 22.73 118.407 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -98.47 156.34 16.82 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 120.103 -0.639 . . . . 23.699999999999999 110.447 -178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -131.02 59.09 43.78 Favored Pre-proline 0 CA--C 1.546 0.806 0 O-C-N 120.936 -1.103 . . . . 30.989999999999998 111.142 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -64.97 141.45 70.7 Favored 'Trans proline' 0 C--O 1.211 -0.867 0 C-N-CA 118.392 -0.605 . . . . 22.699999999999999 111.997 -173.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -80.59 157.37 72.4 Favored Pre-proline 0 C--O 1.271 2.198 0 N-CA-C 108.478 -0.934 . . . . 31.48 108.478 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -58.79 -39.37 82.46 Favored 'Trans proline' 0 N--CA 1.482 0.835 0 CA-C-O 118.682 -0.633 . . . . 32.340000000000003 113.564 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -67.23 -33.12 74.67 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 118.34 -1.344 . . . . 35.07 109.287 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -68.01 -45.17 74.77 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.317 -0.953 . . . . 27.02 109.921 -175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.9 mt -54.49 -43.64 71.94 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 119.637 -0.825 . . . . 27.780000000000001 110.811 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -66.69 -40.24 88.44 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.223 -0.991 . . . . 50.829999999999998 110.242 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.899 ' OE2' ' O ' ' A' ' 248' ' ' HOH . 15.4 tp10 -59.91 -45.97 90.83 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 112.223 0.453 . . . . 33.340000000000003 112.223 177.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.3 mtm -64.61 -41.59 96.1 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.411 -0.515 . . . . 31.329999999999998 110.942 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 47.0 mt -56.5 -46.35 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.536 0 C-N-CA 118.295 -1.362 . . . . 34.210000000000001 112.472 173.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.0 -38.68 86.91 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.878 1.066 . . . . 41.450000000000003 113.878 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -88.88 -28.42 20.36 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.379 1.992 . . . . 29.699999999999999 116.379 -172.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -104.05 -32.53 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-N 117.87 0.305 . . . . 41.259999999999998 110.264 -171.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -63.14 141.31 58.81 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.123 -1.031 . . . . 45.460000000000001 113.194 -168.016 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 125.074 1.35 . . . . 46.490000000000002 112.234 -179.115 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.28 2.984 0 CA-C-O 119.872 -0.404 . . . . 35.68 112.709 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 27.4 p -139.64 153.36 47.3 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.021 1.119 . . . . 28.079999999999998 114.021 -173.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.1 124.33 30.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 O-C-N 122.106 -0.371 . . . . 20.350000000000001 110.388 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -97.94 -179.5 4.43 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 119.798 -0.761 . . . . 20.489999999999998 109.718 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -66.69 -42.45 86.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 118.294 -1.362 . . . . 25.719999999999999 113.27 -164.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -67.84 -38.56 83.32 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 118.048 -0.977 . . . . 23.129999999999999 110.934 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.753 ' OE2' ' O ' ' A' ' 235' ' ' HOH . 87.9 mt-10 -58.41 -42.79 87.95 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 119.465 -0.894 . . . . 27.77 110.356 173.274 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.22 -44.41 88.16 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.532 -0.758 . . . . 23.82 112.292 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.75 -45.65 89.21 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 110.44 -0.207 . . . . 21.890000000000001 110.44 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.4 -41.88 93.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 C-N-CA 119.651 -0.82 . . . . 22.170000000000002 110.781 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.56 -40.35 92.72 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 120.327 -0.549 . . . . 29.469999999999999 111.872 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 82.3 mmm -58.73 -48.0 82.67 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 119.738 -0.785 . . . . 19.969999999999999 111.738 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.54 -45.13 94.21 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 C-N-CA 120.116 -0.634 . . . . 23.059999999999999 111.69 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -56.09 -47.9 77.13 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.249 0.547 . . . . 27.66 110.375 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.1 t -69.35 -30.96 69.1 Favored 'General case' 0 C--O 1.297 3.594 0 CA-C-N 116.077 -0.511 . . . . 19.0 112.326 -174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mtp -66.39 -19.56 65.83 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 118.725 -1.19 . . . . 25.289999999999999 109.892 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -88.0 6.06 37.8 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 114.355 1.242 . . . . 37.380000000000003 114.355 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -114.59 22.01 13.99 Favored 'General case' 0 C--O 1.249 1.047 0 C-N-CA 118.589 -1.244 . . . . 20.27 112.244 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.87 148.59 50.01 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.441 -0.903 . . . . 24.050000000000001 109.864 170.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.243 0.74 0 C-N-CA 123.409 0.683 . . . . 27.629999999999999 109.626 175.271 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CD' . . . . . 0.739 'CD ' ' O ' ' A' ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ACT . . . . . 0.869 ' C ' ' OE2' ' A' ' 15' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ' CA' . . . . . 0.671 'CA ' ' O ' ' A' ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.882 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . 0.893 ' O ' ' HA ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . 0.753 ' O ' ' OE2' ' A' ' 76' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . 0.899 ' O ' ' OE2' ' A' ' 59' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . 0.671 ' O ' 'CA ' ' A' ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . 0.606 ' O ' ' HB3' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_