data_2eg1_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 2eg1 _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 . . . . . . . . . . . . . 49.4 mtm . . . . . 0 N--CA 1.503 2.205 0 N-CA-C 110.001 -0.37 . . . . 45.83 110.001 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -135.76 146.7 47.91 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.119 0.485 . . . . 24.1 110.653 179.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -92.18 135.87 33.64 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 104.354 -2.462 . . . . 15.91 104.354 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -117.07 118.5 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.468 -2.419 . . . . 17.25 104.468 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -114.34 113.26 24.31 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.372 -1.714 . . . . 17.67 106.372 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.43 134.59 54.69 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.194 -0.669 . . . . 16.95 109.194 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -112.88 117.3 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 104.133 -2.543 . . . . 18.95 104.133 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 pt -128.72 169.75 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 113.446 0.906 . . . . 17.36 113.446 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -70.29 139.06 86.94 Favored Pre-proline 0 C--O 1.218 -0.554 0 N-CA-C 107.353 -1.351 . . . . 29.89 107.353 177.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.54 -45.52 26.92 Favored 'Trans proline' 0 CA--C 1.521 -0.142 0 C-N-CA 123.464 2.776 . . . . 20.66 116.876 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -68.07 -11.93 59.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.097 1.147 . . . . 30.59 114.097 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.77 -5.87 57.78 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.081 0.771 . . . . 28.69 113.081 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.05 -50.17 69.78 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 116.291 1.96 . . . . 23.62 116.291 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -59.14 -47.47 85.18 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.536 -0.866 . . . . 40.82 111.277 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -60.27 -46.29 90.33 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.479 0.548 . . . . 43.44 112.479 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.71 -41.34 85.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.01 -0.676 . . . . 21.79 111.907 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -59.53 -47.23 86.33 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.286 -0.635 . . . . 43.35 109.286 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.78 -41.82 99.42 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.385 0.513 . . . . 31.18 112.385 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.32 98.96 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.136 0.493 . . . . 23.41 111.307 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.13 -40.85 86.86 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.798 -0.445 . . . . 24.07 109.798 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.81 -40.24 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 107.073 -1.454 . . . . 27.47 107.073 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -57.83 -41.82 83.1 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.63 0.604 . . . . 51.26 112.63 179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 pt -85.23 10.69 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 113.616 0.969 . . . . 25.01 113.616 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.54 9.24 57.88 Favored Glycine 0 CA--C 1.511 -0.168 0 N-CA-C 122.045 3.578 . . . . 26.79 122.045 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 mm -66.68 123.41 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 117.836 0.818 . . . . 33.35 109.337 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.75 -29.18 43.92 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 117.804 1.882 . . . . 37.6 117.804 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 154.38 25.47 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 119.522 -1.323 . . . . 32.58 110.959 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.3 ptp -151.73 153.3 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.176 -0.61 . . . . 32.19 110.3 178.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -117.87 127.93 54.34 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 106.524 -1.658 . . . . 18.28 106.524 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.04 135.68 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-N 115.547 -0.751 . . . . 21.98 110.666 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.2 m -132.82 140.1 47.81 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.797 -0.446 . . . . 15.2 109.797 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -82.76 127.4 33.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 104.618 -2.364 . . . . 34.6 104.618 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.42 -176.09 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 108.313 -0.995 . . . . 17.67 108.313 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -136.8 154.62 50.49 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.333 -1.728 . . . . 46.28 106.333 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.86 -169.97 31.13 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 117.747 -2.168 . . . . 31.3 114.014 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 p90 . . . . . 0 C--O 1.234 0.257 0 N-CA-C 108.427 -0.953 . . . . 47.69 108.427 178.285 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 113.225 0.824 . . . . 53.69 113.225 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -96.59 120.73 37.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.131 -0.692 . . . . 37.06 109.131 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -103.92 148.59 36.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.559 -0.904 . . . . 30.22 108.559 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -67.27 137.25 43.0 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 N-CA-C 110.295 -0.694 . . . . 19.86 110.295 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -137.75 174.43 10.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 105.638 -1.986 . . . . 31.17 105.638 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.24 133.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 N-CA-C 106.767 -1.568 . . . . 20.67 106.767 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -99.05 134.58 41.68 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.345 -0.983 . . . . 15.28 108.345 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.65 131.47 73.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 105.569 -2.011 . . . . 23.85 105.569 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -124.34 133.51 53.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.104 -0.702 . . . . 14.78 109.104 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.85 153.68 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 105.265 -2.124 . . . . 20.36 105.265 173.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.46 125.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 103.695 -2.706 . . . . 21.39 103.695 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.26 169.11 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.164 0.802 . . . . 18.3 113.164 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -66.25 151.06 47.82 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.103 -0.703 . . . . 42.09 109.103 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -52.11 -43.37 63.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.993 0.738 . . . . 25.36 112.993 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -67.67 -10.07 49.07 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 115.032 1.493 . . . . 38.76 115.032 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -105.02 -3.52 23.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.264 1.209 . . . . 26.72 114.264 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.83 -52.86 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 114.931 1.456 . . . . 22.3 114.931 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.92 -44.26 82.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.192 1.182 . . . . 33.13 114.192 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -61.36 -38.43 86.92 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.202 -0.666 . . . . 42.46 109.202 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.14 -45.38 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.942 -0.703 . . . . 18.96 111.287 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -59.64 -48.17 88.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.996 -0.742 . . . . 20.39 108.996 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 664' ' ' HOH . 53.6 mt-10 -59.42 -42.47 91.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.687 0.28 . . . . 39.45 111.691 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.7 m -63.55 -43.68 96.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 23.64 111.308 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.87 -45.77 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.151 -0.619 . . . . 20.82 111.373 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.63 -48.43 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.158 -0.617 . . . . 22.82 110.52 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.9 -37.84 88.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 114.182 1.178 . . . . 51.01 114.182 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.8 m -84.69 -31.77 23.94 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 115.096 1.517 . . . . 34.08 115.096 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.68 -17.73 26.29 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 116.198 1.925 . . . . 24.34 116.198 -177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -66.48 145.32 55.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.805 0.669 . . . . 44.5 112.805 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 50.4 p -132.52 -20.75 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.41 -2.07 . . . . 36.09 105.41 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.04 -7.63 73.06 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.506 -0.77 . . . . 38.76 111.23 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 -95.33 159.06 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.11 0.564 . . . . 58.71 110.814 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.96 142.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 38.08 111.857 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.85 62.94 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.843 -0.694 . . . . 28.62 114.388 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -59.59 -22.91 62.44 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 117.584 0.692 . . . . 26.33 111.243 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.38 -172.51 21.34 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.493 1.757 . . . . 20.12 117.493 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -141.97 167.84 21.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.334 0.494 . . . . 32.13 112.334 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.2 131.1 65.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.315 -1.365 . . . . 15.91 107.315 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -114.77 137.99 51.28 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.715 -1.217 . . . . 21.81 107.715 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 mm -109.69 119.12 58.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 102.458 -3.164 . . . . 21.48 102.458 177.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 63.9 mt -122.84 132.08 24.31 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 123.683 0.793 . . . . 17.81 109.636 -175.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -66.62 144.83 73.9 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 118.005 -0.863 . . . . 19.28 112.94 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -124.83 123.63 66.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.393 -2.077 . . . . 21.23 105.393 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.37 -22.08 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.177 0.806 . . . . 33.47 113.177 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -170.3 157.11 6.03 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 120.658 -0.417 . . . . 33.59 111.087 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.87 139.39 50.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 105.108 -2.182 . . . . 25.22 105.108 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.17 131.77 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.673 -0.862 . . . . 20.78 108.673 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -88.5 116.14 26.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 105.832 -1.914 . . . . 32.28 105.832 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.84 -39.81 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 114.764 1.394 . . . . 21.3 114.764 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.16 -37.39 77.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.139 1.533 . . . . 49.42 115.139 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p -119.7 -18.54 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 117.744 2.498 . . . . 26.81 117.744 -174.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.26 2.72 87.64 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 118.961 -1.59 . . . . 21.37 110.926 -176.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.2 150.1 48.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.024 -1.473 . . . . 30.74 107.024 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -129.46 174.48 9.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.195 0.522 . . . . 24.48 111.678 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.27 -138.89 31.03 Favored Glycine 0 C--O 1.237 0.307 0 N-CA-C 116.665 1.426 . . . . 25.58 116.665 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 30.8 mp0 -53.94 -29.49 42.64 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.029 0.381 . . . . 45.65 112.029 -179.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -75.88 -16.63 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.232 0.827 . . . . 37.48 113.232 -179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -95.82 -12.31 25.48 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.505 1.298 . . . . 29.93 114.505 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--O 1.243 0.713 0 CA-C-O 117.847 -1.073 . . . . 46.54 109.216 179.558 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 640' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 641' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 642' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 643' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 645' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 646' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 649' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 651' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 653' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 654' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 656' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 657' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 658' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 659' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 660' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 661' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 662' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 663' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 664' ' ' HOH . . . . . 0.441 ' O ' ' OE2' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 665' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 666' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 667' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 668' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 669' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 670' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 671' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 672' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 673' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 674' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 675' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 676' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 677' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 678' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 679' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 680' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 681' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 682' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 683' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 mtm . . . . . 0 N--CA 1.503 2.205 0 N-CA-C 110.001 -0.37 . . . . 45.829999999999998 110.001 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -135.76 146.7 47.91 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.119 0.485 . . . . 24.100000000000001 110.653 179.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -92.18 135.87 33.64 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 104.354 -2.462 . . . . 15.91 104.354 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -117.07 118.5 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.468 -2.419 . . . . 17.25 104.468 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -114.34 113.26 24.31 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.372 -1.714 . . . . 17.670000000000002 106.372 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.43 134.59 54.69 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.194 -0.669 . . . . 16.949999999999999 109.194 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -112.88 117.3 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 104.133 -2.543 . . . . 18.949999999999999 104.133 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 pt -128.72 169.75 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 113.446 0.906 . . . . 17.359999999999999 113.446 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -70.29 139.06 86.94 Favored Pre-proline 0 C--O 1.218 -0.554 0 N-CA-C 107.353 -1.351 . . . . 29.890000000000001 107.353 177.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.54 -45.52 26.92 Favored 'Trans proline' 0 CA--C 1.521 -0.142 0 C-N-CA 123.464 2.776 . . . . 20.66 116.876 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' HD1' ' O ' ' A' ' 626' ' ' HOH . 42.2 p90 -68.07 -11.93 59.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.097 1.147 . . . . 30.59 114.097 -177.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.77 -5.87 57.78 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.081 0.771 . . . . 28.690000000000001 113.081 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.05 -50.17 69.78 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 116.291 1.96 . . . . 23.620000000000001 116.291 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -59.14 -47.47 85.18 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.536 -0.866 . . . . 40.82 111.277 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -60.27 -46.29 90.33 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.479 0.548 . . . . 43.439999999999998 112.479 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.71 -41.34 85.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.01 -0.676 . . . . 21.789999999999999 111.907 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -59.53 -47.23 86.33 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.286 -0.635 . . . . 43.350000000000001 109.286 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.78 -41.82 99.42 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.385 0.513 . . . . 31.18 112.385 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.32 98.96 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.136 0.493 . . . . 23.41 111.307 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.13 -40.85 86.86 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.798 -0.445 . . . . 24.07 109.798 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.81 -40.24 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 107.073 -1.454 . . . . 27.469999999999999 107.073 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 676' ' ' HOH . 34.8 mt-10 -57.83 -41.82 83.1 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.63 0.604 . . . . 51.259999999999998 112.63 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 pt -85.23 10.69 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 113.616 0.969 . . . . 25.010000000000002 113.616 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.54 9.24 57.88 Favored Glycine 0 CA--C 1.511 -0.168 0 N-CA-C 122.045 3.578 . . . . 26.789999999999999 122.045 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 mm -66.68 123.41 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 117.836 0.818 . . . . 33.350000000000001 109.337 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.75 -29.18 43.92 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 117.804 1.882 . . . . 37.600000000000001 117.804 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 154.38 25.47 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 119.522 -1.323 . . . . 32.579999999999998 110.959 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.3 ptp -151.73 153.3 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.176 -0.61 . . . . 32.189999999999998 110.3 178.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -117.87 127.93 54.34 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 106.524 -1.658 . . . . 18.280000000000001 106.524 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.04 135.68 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-N 115.547 -0.751 . . . . 21.98 110.666 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.2 m -132.82 140.1 47.81 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.797 -0.446 . . . . 15.199999999999999 109.797 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -82.76 127.4 33.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 104.618 -2.364 . . . . 34.600000000000001 104.618 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.42 -176.09 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 108.313 -0.995 . . . . 17.670000000000002 108.313 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . 0.687 ' HE2' ' O ' ' A' ' 658' ' ' HOH . 43.8 mtmt -136.8 154.62 50.49 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.333 -1.728 . . . . 46.280000000000001 106.333 177.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.86 -169.97 31.13 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 117.747 -2.168 . . . . 31.300000000000001 114.014 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 p90 . . . . . 0 C--O 1.234 0.257 0 N-CA-C 108.427 -0.953 . . . . 47.689999999999998 108.427 178.285 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 113.225 0.824 . . . . 53.689999999999998 113.225 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -96.59 120.73 37.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.131 -0.692 . . . . 37.060000000000002 109.131 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -103.92 148.59 36.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.559 -0.904 . . . . 30.219999999999999 108.559 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -67.27 137.25 43.0 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 N-CA-C 110.295 -0.694 . . . . 19.859999999999999 110.295 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -137.75 174.43 10.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 105.638 -1.986 . . . . 31.170000000000002 105.638 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.24 133.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 N-CA-C 106.767 -1.568 . . . . 20.670000000000002 106.767 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -99.05 134.58 41.68 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.345 -0.983 . . . . 15.279999999999999 108.345 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.65 131.47 73.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 105.569 -2.011 . . . . 23.850000000000001 105.569 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -124.34 133.51 53.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.104 -0.702 . . . . 14.779999999999999 109.104 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.85 153.68 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 105.265 -2.124 . . . . 20.359999999999999 105.265 173.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.46 125.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 103.695 -2.706 . . . . 21.390000000000001 103.695 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.26 169.11 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.164 0.802 . . . . 18.300000000000001 113.164 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -66.25 151.06 47.82 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.103 -0.703 . . . . 42.090000000000003 109.103 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -52.11 -43.37 63.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.993 0.738 . . . . 25.359999999999999 112.993 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -67.67 -10.07 49.07 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 115.032 1.493 . . . . 38.759999999999998 115.032 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -105.02 -3.52 23.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.264 1.209 . . . . 26.719999999999999 114.264 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.83 -52.86 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 114.931 1.456 . . . . 22.300000000000001 114.931 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.92 -44.26 82.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.192 1.182 . . . . 33.130000000000003 114.192 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -61.36 -38.43 86.92 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.202 -0.666 . . . . 42.460000000000001 109.202 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.14 -45.38 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.942 -0.703 . . . . 18.960000000000001 111.287 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -59.64 -48.17 88.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.996 -0.742 . . . . 20.390000000000001 108.996 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 664' ' ' HOH . 53.6 mt-10 -59.42 -42.47 91.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.687 0.28 . . . . 39.450000000000003 111.691 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.7 m -63.55 -43.68 96.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 23.640000000000001 111.308 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.87 -45.77 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.151 -0.619 . . . . 20.82 111.373 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 82' ' ' GLN . 69.6 t -58.63 -48.43 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.158 -0.617 . . . . 22.82 110.52 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.9 -37.84 88.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 114.182 1.178 . . . . 51.009999999999998 114.182 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.8 m -84.69 -31.77 23.94 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 115.096 1.517 . . . . 34.079999999999998 115.096 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.68 -17.73 26.29 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 116.198 1.925 . . . . 24.34 116.198 -177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 78' ' ' VAL . 40.3 tt0 -66.48 145.32 55.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.805 0.669 . . . . 44.5 112.805 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 50.4 p -132.52 -20.75 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.41 -2.07 . . . . 36.090000000000003 105.41 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.04 -7.63 73.06 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.506 -0.77 . . . . 38.759999999999998 111.23 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 85' ' ' ARG . 42.6 mmt-85 -95.33 159.06 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.11 0.564 . . . . 58.710000000000001 110.814 -179.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.96 142.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 38.079999999999998 111.857 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.85 62.94 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.843 -0.694 . . . . 28.620000000000001 114.388 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -59.59 -22.91 62.44 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 117.584 0.692 . . . . 26.329999999999998 111.243 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.38 -172.51 21.34 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.493 1.757 . . . . 20.120000000000001 117.493 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -141.97 167.84 21.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.334 0.494 . . . . 32.130000000000003 112.334 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.2 131.1 65.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.315 -1.365 . . . . 15.91 107.315 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -114.77 137.99 51.28 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.715 -1.217 . . . . 21.809999999999999 107.715 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 mm -109.69 119.12 58.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 102.458 -3.164 . . . . 21.48 102.458 177.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 63.9 mt -122.84 132.08 24.31 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 123.683 0.793 . . . . 17.809999999999999 109.636 -175.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -66.62 144.83 73.9 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 118.005 -0.863 . . . . 19.280000000000001 112.94 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -124.83 123.63 66.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.393 -2.077 . . . . 21.23 105.393 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.37 -22.08 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.177 0.806 . . . . 33.469999999999999 113.177 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -170.3 157.11 6.03 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 120.658 -0.417 . . . . 33.590000000000003 111.087 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.87 139.39 50.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 105.108 -2.182 . . . . 25.219999999999999 105.108 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.17 131.77 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.673 -0.862 . . . . 20.780000000000001 108.673 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -88.5 116.14 26.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 105.832 -1.914 . . . . 32.280000000000001 105.832 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.84 -39.81 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 114.764 1.394 . . . . 21.300000000000001 114.764 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.16 -37.39 77.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.139 1.533 . . . . 49.420000000000002 115.139 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p -119.7 -18.54 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 117.744 2.498 . . . . 26.809999999999999 117.744 -174.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.26 2.72 87.64 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 118.961 -1.59 . . . . 21.370000000000001 110.926 -176.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.2 150.1 48.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.024 -1.473 . . . . 30.739999999999998 107.024 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -129.46 174.48 9.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.195 0.522 . . . . 24.48 111.678 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.27 -138.89 31.03 Favored Glycine 0 C--O 1.237 0.307 0 N-CA-C 116.665 1.426 . . . . 25.579999999999998 116.665 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 671' ' ' HOH . 30.8 mp0 -53.94 -29.49 42.64 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.029 0.381 . . . . 45.649999999999999 112.029 -179.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -75.88 -16.63 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.232 0.827 . . . . 37.479999999999997 113.232 -179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -95.82 -12.31 25.48 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.505 1.298 . . . . 29.93 114.505 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--O 1.243 0.713 0 CA-C-O 117.847 -1.073 . . . . 46.539999999999999 109.216 179.558 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 626' ' ' HOH . . . . . 0.411 ' O ' ' HD1' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 640' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 641' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 642' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 643' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 645' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 646' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 649' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 651' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 653' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 654' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 656' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 657' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 658' ' ' HOH . . . . . 0.687 ' O ' ' HE2' ' A' ' 34' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 659' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 660' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 661' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 662' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 663' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 664' ' ' HOH . . . . . 0.441 ' O ' ' OE2' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 665' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 666' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 667' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 668' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 669' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 670' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 671' ' ' HOH . . . . . 0.439 ' O ' ' HG3' ' A' ' 109' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 672' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 673' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 674' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 675' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 676' ' ' HOH . . . . . 0.767 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 677' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 678' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 679' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 680' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 681' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 682' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 683' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 mtm . . . . . 0 N--CA 1.503 2.205 0 N-CA-C 110.001 -0.37 . . . . 45.83 110.001 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -135.76 146.7 47.91 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.119 0.485 . . . . 24.1 110.653 179.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -92.18 135.87 33.64 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 104.354 -2.462 . . . . 15.91 104.354 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -117.07 118.5 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.468 -2.419 . . . . 17.25 104.468 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -114.34 113.26 24.31 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.372 -1.714 . . . . 17.67 106.372 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.43 134.59 54.69 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.194 -0.669 . . . . 16.95 109.194 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -112.88 117.3 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 104.133 -2.543 . . . . 18.95 104.133 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 pt -128.72 169.75 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 113.446 0.906 . . . . 17.36 113.446 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -70.29 139.06 86.94 Favored Pre-proline 0 C--O 1.218 -0.554 0 N-CA-C 107.353 -1.351 . . . . 29.89 107.353 177.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.54 -45.52 26.92 Favored 'Trans proline' 0 CA--C 1.521 -0.142 0 C-N-CA 123.464 2.776 . . . . 20.66 116.876 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' HD1' ' O ' ' A' ' 626' ' ' HOH . 42.2 p90 -68.07 -11.93 59.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.097 1.147 . . . . 30.59 114.097 -177.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -88.77 -5.87 57.78 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.081 0.771 . . . . 28.69 113.081 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.05 -50.17 69.78 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 116.291 1.96 . . . . 23.62 116.291 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -59.14 -47.47 85.18 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.536 -0.866 . . . . 40.82 111.277 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -60.27 -46.29 90.33 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.479 0.548 . . . . 43.44 112.479 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.71 -41.34 85.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 C-N-CA 120.01 -0.676 . . . . 21.79 111.907 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -59.53 -47.23 86.33 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.286 -0.635 . . . . 43.35 109.286 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.78 -41.82 99.42 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.385 0.513 . . . . 31.18 112.385 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.32 98.96 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.136 0.493 . . . . 23.41 111.307 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.13 -40.85 86.86 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.798 -0.445 . . . . 24.07 109.798 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.81 -40.24 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 107.073 -1.454 . . . . 27.47 107.073 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 676' ' ' HOH . 34.8 mt-10 -57.83 -41.82 83.1 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.63 0.604 . . . . 51.26 112.63 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 pt -85.23 10.69 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 113.616 0.969 . . . . 25.01 113.616 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.54 9.24 57.88 Favored Glycine 0 CA--C 1.511 -0.168 0 N-CA-C 122.045 3.578 . . . . 26.79 122.045 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 mm -66.68 123.41 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 117.836 0.818 . . . . 33.35 109.337 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.75 -29.18 43.92 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 117.804 1.882 . . . . 37.6 117.804 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 154.38 25.47 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 119.522 -1.323 . . . . 32.58 110.959 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.3 ptp -151.73 153.3 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.176 -0.61 . . . . 32.19 110.3 178.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -117.87 127.93 54.34 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 106.524 -1.658 . . . . 18.28 106.524 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.04 135.68 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-N 115.547 -0.751 . . . . 21.98 110.666 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.2 m -132.82 140.1 47.81 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.797 -0.446 . . . . 15.2 109.797 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -82.76 127.4 33.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 104.618 -2.364 . . . . 34.6 104.618 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.42 -176.09 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 108.313 -0.995 . . . . 17.67 108.313 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.687 ' HE2' ' O ' ' A' ' 658' ' ' HOH . 43.8 mtmt -136.8 154.62 50.49 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.333 -1.728 . . . . 46.28 106.333 177.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.86 -169.97 31.13 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 117.747 -2.168 . . . . 31.3 114.014 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 p90 . . . . . 0 C--O 1.234 0.257 0 N-CA-C 108.427 -0.953 . . . . 47.69 108.427 178.285 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 113.225 0.824 . . . . 53.69 113.225 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -96.59 120.73 37.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.131 -0.692 . . . . 37.06 109.131 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -103.92 148.59 36.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.559 -0.904 . . . . 30.22 108.559 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -67.27 137.25 43.0 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 N-CA-C 110.295 -0.694 . . . . 19.86 110.295 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -137.75 174.43 10.59 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 105.638 -1.986 . . . . 31.17 105.638 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.24 133.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 N-CA-C 106.767 -1.568 . . . . 20.67 106.767 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -99.05 134.58 41.68 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.345 -0.983 . . . . 15.28 108.345 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.65 131.47 73.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 105.569 -2.011 . . . . 23.85 105.569 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -124.34 133.51 53.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.104 -0.702 . . . . 14.78 109.104 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.85 153.68 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 105.265 -2.124 . . . . 20.36 105.265 173.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.46 125.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 N-CA-C 103.695 -2.706 . . . . 21.39 103.695 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.26 169.11 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.164 0.802 . . . . 18.3 113.164 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -66.25 151.06 47.82 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.103 -0.703 . . . . 42.09 109.103 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -52.11 -43.37 63.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.993 0.738 . . . . 25.36 112.993 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -67.67 -10.07 49.07 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 115.032 1.493 . . . . 38.76 115.032 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -105.02 -3.52 23.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.264 1.209 . . . . 26.72 114.264 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.83 -52.86 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 114.931 1.456 . . . . 22.3 114.931 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.92 -44.26 82.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.192 1.182 . . . . 33.13 114.192 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -61.36 -38.43 86.92 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.202 -0.666 . . . . 42.46 109.202 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.14 -45.38 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.942 -0.703 . . . . 18.96 111.287 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -59.64 -48.17 88.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.996 -0.742 . . . . 20.39 108.996 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 664' ' ' HOH . 53.6 mt-10 -59.42 -42.47 91.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.687 0.28 . . . . 39.45 111.691 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.7 m -63.55 -43.68 96.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 23.64 111.308 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.87 -45.77 90.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.151 -0.619 . . . . 20.82 111.373 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 82' ' ' GLN . 69.6 t -58.63 -48.43 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.158 -0.617 . . . . 22.82 110.52 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.9 -37.84 88.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 114.182 1.178 . . . . 51.01 114.182 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.8 m -84.69 -31.77 23.94 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 115.096 1.517 . . . . 34.08 115.096 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.68 -17.73 26.29 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 116.198 1.925 . . . . 24.34 116.198 -177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 78' ' ' VAL . 40.3 tt0 -66.48 145.32 55.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.805 0.669 . . . . 44.5 112.805 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 50.4 p -132.52 -20.75 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.41 -2.07 . . . . 36.09 105.41 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.04 -7.63 73.06 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.506 -0.77 . . . . 38.76 111.23 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 85' ' ' ARG . 42.6 mmt-85 -95.33 159.06 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.11 0.564 . . . . 58.71 110.814 -179.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -62.96 142.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 38.08 111.857 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 92.55 7.85 62.94 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.843 -0.694 . . . . 28.62 114.388 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -59.59 -22.91 62.44 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 117.584 0.692 . . . . 26.33 111.243 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.38 -172.51 21.34 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.493 1.757 . . . . 20.12 117.493 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -141.97 167.84 21.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.334 0.494 . . . . 32.13 112.334 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.5 mt -130.2 131.1 65.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.315 -1.365 . . . . 15.91 107.315 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -114.77 137.99 51.28 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.715 -1.217 . . . . 21.81 107.715 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 mm -109.69 119.12 58.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 N-CA-C 102.458 -3.164 . . . . 21.48 102.458 177.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 63.9 mt -122.84 132.08 24.31 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 123.683 0.793 . . . . 17.81 109.636 -175.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -66.62 144.83 73.9 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 118.005 -0.863 . . . . 19.28 112.94 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -124.83 123.63 66.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.393 -2.077 . . . . 21.23 105.393 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.37 -22.08 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.177 0.806 . . . . 33.47 113.177 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -170.3 157.11 6.03 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 120.658 -0.417 . . . . 33.59 111.087 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.4 t -131.87 139.39 50.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 105.108 -2.182 . . . . 25.22 105.108 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.17 131.77 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.673 -0.862 . . . . 20.78 108.673 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -88.5 116.14 26.52 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 105.832 -1.914 . . . . 32.28 105.832 178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.84 -39.81 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 114.764 1.394 . . . . 21.3 114.764 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.16 -37.39 77.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 115.139 1.533 . . . . 49.42 115.139 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p -119.7 -18.54 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 117.744 2.498 . . . . 26.81 117.744 -174.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 85.26 2.72 87.64 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 118.961 -1.59 . . . . 21.37 110.926 -176.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.2 150.1 48.78 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.024 -1.473 . . . . 30.74 107.024 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -129.46 174.48 9.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.195 0.522 . . . . 24.48 111.678 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.27 -138.89 31.03 Favored Glycine 0 C--O 1.237 0.307 0 N-CA-C 116.665 1.426 . . . . 25.58 116.665 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 671' ' ' HOH . 30.8 mp0 -53.94 -29.49 42.64 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.029 0.381 . . . . 45.65 112.029 -179.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -75.88 -16.63 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.232 0.827 . . . . 37.48 113.232 -179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -95.82 -12.31 25.48 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.505 1.298 . . . . 29.93 114.505 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--O 1.243 0.713 0 CA-C-O 117.847 -1.073 . . . . 46.54 109.216 179.558 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 626' ' ' HOH . . . . . 0.411 ' O ' ' HD1' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 640' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 641' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 642' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 643' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 645' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 646' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 649' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 651' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 653' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 654' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 656' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 657' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 658' ' ' HOH . . . . . 0.687 ' O ' ' HE2' ' A' ' 34' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 659' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 660' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 661' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 662' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 663' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 664' ' ' HOH . . . . . 0.441 ' O ' ' OE2' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 665' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 666' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 667' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 668' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 669' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 670' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 671' ' ' HOH . . . . . 0.439 ' O ' ' HG3' ' A' ' 109' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 672' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 673' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 674' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 675' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 676' ' ' HOH . . . . . 0.767 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 677' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 678' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 679' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 680' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 681' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 682' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 683' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_