data_5z0w_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 5z0w _Structure_validation_residue.Date_analyzed 2018-01-05 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 ' E' E ' 35' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' E' ' 39' ' ' GLN . 74.5 m . . . . . 0 C--O 1.2 -1.546 0 N-CA-C 115.509 1.67 . . . . 61.75 115.509 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.66 -172.09 51.72 Favored Glycine 0 C--O 1.24 0.508 0 CA-C-O 123.159 1.422 . . . . 42.899999999999999 114.879 169.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.43 -38.85 82.34 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-N 113.771 -1.214 . . . . 46.890000000000001 111.133 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.67 -41.89 93.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.772 -0.771 . . . . 42.189999999999998 110.538 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' GLN . . . . . 0.44 ' OE1' ' N ' ' E' ' 35' ' ' SER . 64.2 tt0 -65.18 -38.51 90.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 118.762 -1.175 . . . . 59.719999999999999 110.213 178.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.32 -31.35 72.09 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.108 -1.037 . . . . 45.600000000000001 111.801 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.37 -43.15 86.76 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.516 -0.473 . . . . 45.770000000000003 111.83 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -62.64 -38.66 91.14 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 117.896 -1.521 . . . . 46.539999999999999 110.93 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -53.25 -48.14 68.49 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 120.119 -0.632 . . . . 44.590000000000003 110.339 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.44 -37.7 65.75 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.211 -0.596 . . . . 42.399999999999999 111.68 -172.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 tp -60.01 -42.75 94.97 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 120.16 -0.616 . . . . 41.659999999999997 111.675 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' ARG . . . . . 0.689 ' NH2' ' O ' ' E' ' 101' ' ' HOH . 22.4 mtm180 -63.78 -38.1 89.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.312 -0.555 . . . . 60.039999999999999 111.372 176.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.64 95.48 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.066 -1.054 . . . . 33.439999999999998 110.886 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.65 -44.95 98.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.427 0.632 . . . . 35.090000000000003 111.033 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.99 -42.3 93.92 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.355 -0.384 . . . . 73.200000000000003 111.743 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.79 -37.28 70.43 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 119.974 -0.69 . . . . 37.5 111.649 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.55 -33.62 70.11 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 120.797 -0.361 . . . . 41.5 111.909 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -67.36 -38.75 85.28 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.782 -0.767 . . . . 35.57 111.775 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 53' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -60.17 -43.61 95.69 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.804 -0.758 . . . . 43.240000000000002 110.89 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.41 -43.15 97.0 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.959 0.409 . . . . 44.170000000000002 110.565 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.38 -42.74 96.48 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.601 -0.44 . . . . 37.850000000000001 111.56 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -69.28 -30.94 69.14 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.552 -0.859 . . . . 49.0 112.059 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.63 -41.06 93.07 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 120.477 -0.489 . . . . 35.700000000000003 111.206 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 58' ' ' THR . . . . . . . . . . . . . 65.4 p -68.11 -35.49 78.21 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 117.559 -1.656 . . . . 31.379999999999999 110.937 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 59' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.08 -49.7 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 120.039 -0.665 . . . . 31.07 110.49 173.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 60' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -52.89 -45.51 67.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.799 -0.563 . . . . 40.82 111.992 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.55 -43.38 96.64 Favored Glycine 0 C--O 1.242 0.627 0 C-N-CA 120.003 -1.094 . . . . 30.030000000000001 112.285 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mt -61.76 -42.22 93.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 122.603 -0.351 . . . . 30.02 110.336 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.42 -40.98 93.99 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 118.916 -1.114 . . . . 54.539999999999999 111.689 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 64' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -56.54 -46.82 80.45 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 120.377 -0.529 . . . . 43.689999999999998 111.211 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.56 -44.46 67.39 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.387 -0.369 . . . . 37.93 111.428 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -55.65 -43.25 76.09 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.031 -0.668 . . . . 44.509999999999998 111.038 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.91 98.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.668 -0.242 . . . . 36.149999999999999 111.286 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 mtm-85 -68.13 -39.42 82.74 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 111.844 0.313 . . . . 57.600000000000001 111.844 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 69' ' ' ILE . . . . . . . . . . . . . 13.8 mt -73.7 -48.64 39.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 120.138 -0.625 . . . . 44.57 110.344 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.442 -0.873 0 N-CA-C 109.386 -0.598 . . . . 46.899999999999999 109.386 -173.728 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 117' ' ' TRP . . . . . 0.794 ' N ' ' O ' ' F' ' 202' ' ' HOH . 64.1 m95 . . . . . 0 C--O 1.241 0.642 0 N-CA-C 110.6 -0.148 . . . . 43.130000000000003 110.6 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 118' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.26 -46.68 82.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.924 -0.71 . . . . 60.909999999999997 111.058 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 119' ' ' GLU . . . . . 0.708 ' OE1' ' O ' ' F' ' 201' ' ' HOH . 5.7 tp10 -66.85 -35.32 79.77 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.173 -0.611 . . . . 57.950000000000003 111.137 177.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 120' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -57.02 -47.43 80.9 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.219 -0.301 . . . . 32.770000000000003 111.48 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 121' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.04 -41.18 91.7 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 111.936 0.347 . . . . 44.049999999999997 111.936 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 122' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.48 -38.44 74.4 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.544 -0.862 . . . . 62.579999999999998 111.155 -176.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 123' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.33 -37.71 63.48 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.368 -0.933 . . . . 52.600000000000001 111.466 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 124' ' ' ILE . . . . . . . . . . . . . 18.5 mm -54.45 -50.07 60.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.248 0.547 . . . . 33.850000000000001 109.559 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 125' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.82 -41.39 97.88 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.075 -0.65 . . . . 58.719999999999999 111.36 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 126' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' F' ' 130' ' ' LYS . 44.8 tt0 -60.63 -51.33 69.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.996 0.427 . . . . 52.25 111.183 -179.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 127' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -73.93 -30.49 62.59 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 120.074 -0.651 . . . . 50.340000000000003 111.804 -174.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 128' ' ' THR . . . . . . . . . . . . . 92.3 m -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 120.587 -0.445 . . . . 39.759999999999998 110.829 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 129' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.77 -35.96 75.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 118.271 -1.372 . . . . 52.07 110.636 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 130' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' F' ' 126' ' ' GLU . 99.2 mttt -60.6 -45.39 94.19 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.643 -0.423 . . . . 63.189999999999998 111.284 174.178 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 131' ' ' ILE . . . . . . . . . . . . . 66.3 mt -67.82 -43.91 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.896 -0.722 . . . . 40.950000000000003 110.761 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 132' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -57.44 -42.58 82.72 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 118.819 -1.152 . . . . 54.479999999999997 110.811 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 133' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.81 -39.68 93.99 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.889 -0.724 . . . . 66.670000000000002 111.147 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 134' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.22 -37.08 84.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.323 -0.551 . . . . 39.719999999999999 111.457 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 135' ' ' ILE . . . . . . . . . . . . . 80.1 mt -68.93 -40.71 81.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 118.996 -1.082 . . . . 40.409999999999997 110.426 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 136' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.13 -47.57 82.22 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 121.302 -0.874 . . . . 56.990000000000002 109.296 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 137' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.0 -44.99 75.03 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.17 -0.612 . . . . 53.850000000000001 111.069 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 138' ' ' SER . . . . . . . . . . . . . 7.4 m -66.06 -36.29 82.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 122.219 -0.301 . . . . 42.549999999999997 111.699 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.53 -41.22 98.48 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 118.73 -1.188 . . . . 63.289999999999999 111.077 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 140' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -66.17 -38.82 88.97 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.161 -0.616 . . . . 65.340000000000003 111.224 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 141' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -66.99 -31.97 72.89 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.989 -0.684 . . . . 55.060000000000002 111.467 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 142' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -72.58 -39.98 66.95 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.913 -0.715 . . . . 51.399999999999999 111.529 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 143' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.04 -31.76 72.84 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.212 -0.995 . . . . 65.760000000000005 110.888 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 144' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.21 -45.9 91.3 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.638 -0.425 . . . . 60.68 111.494 174.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 145' ' ' ASN . . . . . 0.738 ' ND2' ' O ' ' F' ' 203' ' ' HOH . 83.6 m-20 . . . . . 0 C--O 1.235 0.292 0 O-C-N 122.263 -0.273 . . . . 63.630000000000003 111.118 -176.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . 0.689 ' O ' ' NH2' ' E' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 201' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' F' ' 119' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 202' ' ' HOH . . . . . 0.794 ' O ' ' N ' ' F' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 203' ' ' HOH . . . . . 0.738 ' O ' ' ND2' ' F' ' 145' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 206' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' F' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 35' ' ' SER . . . . . 0.663 ' HB2' ' OE1' ' E' ' 39' ' ' GLN . 74.5 m . . . . . 0 C--O 1.2 -1.546 0 N-CA-C 115.509 1.67 . . . . 61.75 115.509 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.66 -172.09 51.72 Favored Glycine 0 C--O 1.24 0.508 0 CA-C-O 123.159 1.422 . . . . 42.899999999999999 114.879 169.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.43 -38.85 82.34 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-N 113.771 -1.214 . . . . 46.890000000000001 111.133 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.67 -41.89 93.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.772 -0.771 . . . . 42.189999999999998 110.538 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 39' ' ' GLN . . . . . 0.663 ' OE1' ' HB2' ' E' ' 35' ' ' SER . 64.2 tt0 -65.18 -38.51 90.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 118.762 -1.175 . . . . 59.719999999999999 110.213 178.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.32 -31.35 72.09 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.108 -1.037 . . . . 45.600000000000001 111.801 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.37 -43.15 86.76 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.516 -0.473 . . . . 45.770000000000003 111.83 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -62.64 -38.66 91.14 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 117.896 -1.521 . . . . 46.539999999999999 110.93 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 43' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -53.25 -48.14 68.49 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 120.119 -0.632 . . . . 44.590000000000003 110.339 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.44 -37.7 65.75 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.211 -0.596 . . . . 42.399999999999999 111.68 -172.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 tp -60.01 -42.75 94.97 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 120.16 -0.616 . . . . 41.659999999999997 111.675 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -63.78 -38.1 89.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.312 -0.555 . . . . 60.039999999999999 111.372 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.64 95.48 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.066 -1.054 . . . . 33.439999999999998 110.886 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.65 -44.95 98.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.427 0.632 . . . . 35.090000000000003 111.033 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.99 -42.3 93.92 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.355 -0.384 . . . . 73.200000000000003 111.743 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.79 -37.28 70.43 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 119.974 -0.69 . . . . 37.5 111.649 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.55 -33.62 70.11 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 120.797 -0.361 . . . . 41.5 111.909 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -67.36 -38.75 85.28 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.782 -0.767 . . . . 35.57 111.775 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 53' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -60.17 -43.61 95.69 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.804 -0.758 . . . . 43.240000000000002 110.89 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.41 -43.15 97.0 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.959 0.409 . . . . 44.170000000000002 110.565 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.38 -42.74 96.48 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.601 -0.44 . . . . 37.850000000000001 111.56 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -69.28 -30.94 69.14 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.552 -0.859 . . . . 49.0 112.059 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.63 -41.06 93.07 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 120.477 -0.489 . . . . 35.700000000000003 111.206 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 58' ' ' THR . . . . . . . . . . . . . 65.4 p -68.11 -35.49 78.21 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 117.559 -1.656 . . . . 31.379999999999999 110.937 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 59' ' ' VAL . . . . . 0.409 ' CG1' ' HE3' ' E' ' 63' ' ' LYS . 69.9 t -59.08 -49.7 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 120.039 -0.665 . . . . 31.07 110.49 173.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 60' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -52.89 -45.51 67.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.799 -0.563 . . . . 40.82 111.992 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.55 -43.38 96.64 Favored Glycine 0 C--O 1.242 0.627 0 C-N-CA 120.003 -1.094 . . . . 30.030000000000001 112.285 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mt -61.76 -42.22 93.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 122.603 -0.351 . . . . 30.02 110.336 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 63' ' ' LYS . . . . . 0.409 ' HE3' ' CG1' ' E' ' 59' ' ' VAL . 99.2 mttt -65.42 -40.98 93.99 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 118.916 -1.114 . . . . 54.539999999999999 111.689 178.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 64' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -56.54 -46.82 80.45 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 120.377 -0.529 . . . . 43.689999999999998 111.211 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.56 -44.46 67.39 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.387 -0.369 . . . . 37.93 111.428 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -55.65 -43.25 76.09 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.031 -0.668 . . . . 44.509999999999998 111.038 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.91 98.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.668 -0.242 . . . . 36.149999999999999 111.286 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 mtm-85 -68.13 -39.42 82.74 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 111.844 0.313 . . . . 57.600000000000001 111.844 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 69' ' ' ILE . . . . . . . . . . . . . 13.8 mt -73.7 -48.64 39.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 120.138 -0.625 . . . . 44.57 110.344 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.442 -0.873 0 N-CA-C 109.386 -0.598 . . . . 46.899999999999999 109.386 -173.728 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 117' ' ' TRP . . . . . 0.794 ' N ' ' O ' ' F' ' 202' ' ' HOH . 64.1 m95 . . . . . 0 C--O 1.241 0.642 0 N-CA-C 110.6 -0.148 . . . . 43.130000000000003 110.6 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 118' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.26 -46.68 82.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.924 -0.71 . . . . 60.909999999999997 111.058 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 119' ' ' GLU . . . . . 0.708 ' OE1' ' O ' ' F' ' 201' ' ' HOH . 5.7 tp10 -66.85 -35.32 79.77 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.173 -0.611 . . . . 57.950000000000003 111.137 177.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 120' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -57.02 -47.43 80.9 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.219 -0.301 . . . . 32.770000000000003 111.48 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 121' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.04 -41.18 91.7 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 111.936 0.347 . . . . 44.049999999999997 111.936 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 122' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.48 -38.44 74.4 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.544 -0.862 . . . . 62.579999999999998 111.155 -176.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 123' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.33 -37.71 63.48 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.368 -0.933 . . . . 52.600000000000001 111.466 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 124' ' ' ILE . . . . . . . . . . . . . 18.5 mm -54.45 -50.07 60.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.248 0.547 . . . . 33.850000000000001 109.559 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 125' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.82 -41.39 97.88 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.075 -0.65 . . . . 58.719999999999999 111.36 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.63 -51.33 69.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.996 0.427 . . . . 52.25 111.183 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 127' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -73.93 -30.49 62.59 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 120.074 -0.651 . . . . 50.340000000000003 111.804 -174.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 128' ' ' THR . . . . . . . . . . . . . 92.3 m -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 120.587 -0.445 . . . . 39.759999999999998 110.829 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 129' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.77 -35.96 75.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 118.271 -1.372 . . . . 52.07 110.636 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 130' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.6 -45.39 94.19 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.643 -0.423 . . . . 63.189999999999998 111.284 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 131' ' ' ILE . . . . . . . . . . . . . 66.3 mt -67.82 -43.91 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.896 -0.722 . . . . 40.950000000000003 110.761 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 132' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -57.44 -42.58 82.72 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 118.819 -1.152 . . . . 54.479999999999997 110.811 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 133' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.81 -39.68 93.99 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.889 -0.724 . . . . 66.670000000000002 111.147 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 134' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.22 -37.08 84.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.323 -0.551 . . . . 39.719999999999999 111.457 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 135' ' ' ILE . . . . . . . . . . . . . 80.1 mt -68.93 -40.71 81.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 118.996 -1.082 . . . . 40.409999999999997 110.426 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 136' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.13 -47.57 82.22 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 121.302 -0.874 . . . . 56.990000000000002 109.296 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 137' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.0 -44.99 75.03 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.17 -0.612 . . . . 53.850000000000001 111.069 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 138' ' ' SER . . . . . . . . . . . . . 7.4 m -66.06 -36.29 82.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 122.219 -0.301 . . . . 42.549999999999997 111.699 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.53 -41.22 98.48 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 118.73 -1.188 . . . . 63.289999999999999 111.077 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 140' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -66.17 -38.82 88.97 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.161 -0.616 . . . . 65.340000000000003 111.224 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 141' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -66.99 -31.97 72.89 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.989 -0.684 . . . . 55.060000000000002 111.467 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 142' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -72.58 -39.98 66.95 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.913 -0.715 . . . . 51.399999999999999 111.529 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 143' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.04 -31.76 72.84 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.212 -0.995 . . . . 65.760000000000005 110.888 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 144' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.21 -45.9 91.3 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.638 -0.425 . . . . 60.68 111.494 174.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 145' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--O 1.235 0.292 0 O-C-N 122.263 -0.273 . . . . 63.630000000000003 111.118 -176.885 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 201' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' F' ' 119' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 202' ' ' HOH . . . . . 0.794 ' O ' ' N ' ' F' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 206' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' F' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' SER . . . . . 0.663 ' HB2' ' OE1' ' E' ' 39' ' ' GLN . 74.5 m . . . . . 0 C--O 1.2 -1.546 0 N-CA-C 115.509 1.67 . . . . 61.75 115.509 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.66 -172.09 51.72 Favored Glycine 0 C--O 1.24 0.508 0 CA-C-O 123.159 1.422 . . . . 42.899999999999999 114.879 169.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.43 -38.85 82.34 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 CA-C-N 113.771 -1.214 . . . . 46.890000000000001 111.133 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.67 -41.89 93.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.772 -0.771 . . . . 42.189999999999998 110.538 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' GLN . . . . . 0.663 ' OE1' ' HB2' ' E' ' 35' ' ' SER . 64.2 tt0 -65.18 -38.51 90.75 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 118.762 -1.175 . . . . 59.719999999999999 110.213 178.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.32 -31.35 72.09 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.108 -1.037 . . . . 45.600000000000001 111.801 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.37 -43.15 86.76 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.516 -0.473 . . . . 45.770000000000003 111.83 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -62.64 -38.66 91.14 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 117.896 -1.521 . . . . 46.539999999999999 110.93 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -53.25 -48.14 68.49 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 120.119 -0.632 . . . . 44.590000000000003 110.339 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.44 -37.7 65.75 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.211 -0.596 . . . . 42.399999999999999 111.68 -172.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 tp -60.01 -42.75 94.97 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 120.16 -0.616 . . . . 41.659999999999997 111.675 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -63.78 -38.1 89.83 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.312 -0.555 . . . . 60.039999999999999 111.372 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.64 95.48 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.066 -1.054 . . . . 33.439999999999998 110.886 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.65 -44.95 98.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.427 0.632 . . . . 35.090000000000003 111.033 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -59.99 -42.3 93.92 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.355 -0.384 . . . . 73.200000000000003 111.743 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.79 -37.28 70.43 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 119.974 -0.69 . . . . 37.5 111.649 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 51' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.55 -33.62 70.11 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 120.797 -0.361 . . . . 41.5 111.909 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -67.36 -38.75 85.28 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.782 -0.767 . . . . 35.57 111.775 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 53' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -60.17 -43.61 95.69 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.804 -0.758 . . . . 43.240000000000002 110.89 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.41 -43.15 97.0 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.959 0.409 . . . . 44.170000000000002 110.565 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.38 -42.74 96.48 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.601 -0.44 . . . . 37.850000000000001 111.56 -179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -69.28 -30.94 69.14 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.552 -0.859 . . . . 49.0 112.059 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.63 -41.06 93.07 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 120.477 -0.489 . . . . 35.700000000000003 111.206 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 58' ' ' THR . . . . . . . . . . . . . 65.4 p -68.11 -35.49 78.21 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 117.559 -1.656 . . . . 31.379999999999999 110.937 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 59' ' ' VAL . . . . . 0.409 ' CG1' ' HE3' ' E' ' 63' ' ' LYS . 69.9 t -59.08 -49.7 82.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 120.039 -0.665 . . . . 31.07 110.49 173.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 60' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -52.89 -45.51 67.54 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.799 -0.563 . . . . 40.82 111.992 178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.55 -43.38 96.64 Favored Glycine 0 C--O 1.242 0.627 0 C-N-CA 120.003 -1.094 . . . . 30.030000000000001 112.285 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mt -61.76 -42.22 93.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 122.603 -0.351 . . . . 30.02 110.336 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.409 ' HE3' ' CG1' ' E' ' 59' ' ' VAL . 99.2 mttt -65.42 -40.98 93.99 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 118.916 -1.114 . . . . 54.539999999999999 111.689 178.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 64' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -56.54 -46.82 80.45 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 120.377 -0.529 . . . . 43.689999999999998 111.211 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -70.56 -44.46 67.39 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.387 -0.369 . . . . 37.93 111.428 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -55.65 -43.25 76.09 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.031 -0.668 . . . . 44.509999999999998 111.038 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.91 98.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.668 -0.242 . . . . 36.149999999999999 111.286 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 mtm-85 -68.13 -39.42 82.74 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 111.844 0.313 . . . . 57.600000000000001 111.844 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 69' ' ' ILE . . . . . . . . . . . . . 13.8 mt -73.7 -48.64 39.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 120.138 -0.625 . . . . 44.57 110.344 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.442 -0.873 0 N-CA-C 109.386 -0.598 . . . . 46.899999999999999 109.386 -173.728 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 117' ' ' TRP . . . . . 0.794 ' N ' ' O ' ' F' ' 202' ' ' HOH . 64.1 m95 . . . . . 0 C--O 1.241 0.642 0 N-CA-C 110.6 -0.148 . . . . 43.130000000000003 110.6 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 118' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.26 -46.68 82.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.924 -0.71 . . . . 60.909999999999997 111.058 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 119' ' ' GLU . . . . . 0.708 ' OE1' ' O ' ' F' ' 201' ' ' HOH . 5.7 tp10 -66.85 -35.32 79.77 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.173 -0.611 . . . . 57.950000000000003 111.137 177.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 120' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -57.02 -47.43 80.9 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.219 -0.301 . . . . 32.770000000000003 111.48 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 121' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -60.04 -41.18 91.7 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 111.936 0.347 . . . . 44.049999999999997 111.936 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 122' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.48 -38.44 74.4 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.544 -0.862 . . . . 62.579999999999998 111.155 -176.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 123' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.33 -37.71 63.48 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.368 -0.933 . . . . 52.600000000000001 111.466 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 124' ' ' ILE . . . . . . . . . . . . . 18.5 mm -54.45 -50.07 60.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.248 0.547 . . . . 33.850000000000001 109.559 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 125' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.82 -41.39 97.88 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 120.075 -0.65 . . . . 58.719999999999999 111.36 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -60.63 -51.33 69.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.996 0.427 . . . . 52.25 111.183 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 127' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -73.93 -30.49 62.59 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 120.074 -0.651 . . . . 50.340000000000003 111.804 -174.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 128' ' ' THR . . . . . . . . . . . . . 92.3 m -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 120.587 -0.445 . . . . 39.759999999999998 110.829 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 129' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.77 -35.96 75.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 118.271 -1.372 . . . . 52.07 110.636 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 130' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.6 -45.39 94.19 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.643 -0.423 . . . . 63.189999999999998 111.284 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 131' ' ' ILE . . . . . . . . . . . . . 66.3 mt -67.82 -43.91 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.896 -0.722 . . . . 40.950000000000003 110.761 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 132' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -57.44 -42.58 82.72 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 118.819 -1.152 . . . . 54.479999999999997 110.811 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 133' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.81 -39.68 93.99 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.889 -0.724 . . . . 66.670000000000002 111.147 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 134' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.22 -37.08 84.69 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.323 -0.551 . . . . 39.719999999999999 111.457 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 135' ' ' ILE . . . . . . . . . . . . . 80.1 mt -68.93 -40.71 81.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 118.996 -1.082 . . . . 40.409999999999997 110.426 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 136' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.13 -47.57 82.22 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 121.302 -0.874 . . . . 56.990000000000002 109.296 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 137' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.0 -44.99 75.03 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.17 -0.612 . . . . 53.850000000000001 111.069 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 138' ' ' SER . . . . . . . . . . . . . 7.4 m -66.06 -36.29 82.82 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 122.219 -0.301 . . . . 42.549999999999997 111.699 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 139' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.53 -41.22 98.48 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 118.73 -1.188 . . . . 63.289999999999999 111.077 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 140' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -66.17 -38.82 88.97 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.161 -0.616 . . . . 65.340000000000003 111.224 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 141' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -66.99 -31.97 72.89 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.989 -0.684 . . . . 55.060000000000002 111.467 175.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 142' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -72.58 -39.98 66.95 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.913 -0.715 . . . . 51.399999999999999 111.529 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 143' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.04 -31.76 72.84 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.212 -0.995 . . . . 65.760000000000005 110.888 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 144' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.21 -45.9 91.3 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 120.638 -0.425 . . . . 60.68 111.494 174.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 145' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--O 1.235 0.292 0 O-C-N 122.263 -0.273 . . . . 63.630000000000003 111.118 -176.885 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 201' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' F' ' 119' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 202' ' ' HOH . . . . . 0.794 ' O ' ' N ' ' F' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 206' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' F' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_