data_1smm_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 1smm _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 . . . . . 0.492 ' H1 ' ' HG3' ' A' ' 1' ' ' MET . 31.4 mtm . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 108.107 -1.072 . . . . 16.33 108.107 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . 0.726 ' HZ2' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -90.56 156.07 18.42 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 115.639 1.718 . . . . 17.29 115.639 -179.495 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -85.04 157.63 20.68 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 104.153 -2.536 . . . . 14.92 104.153 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.98 143.58 50.19 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 105.288 -2.116 . . . . 7.91 105.288 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 12.9 t -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 117.86 -1.536 . . . . 9.38 110.35 179.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 35.3 t -79.87 119.14 22.34 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 104.99 -2.226 . . . . 6.39 104.99 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -76.74 -3.0 35.9 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 120.319 -0.553 . . . . 8.44 111.974 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 t -93.63 -43.56 13.45 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.137 0 C-N-CA 117.908 -1.517 . . . . 8.19 108.275 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 p -115.94 -15.54 11.2 Favored 'General case' 0 C--O 1.199 -1.605 0 N-CA-C 117.423 2.379 . . . . 6.84 117.423 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.52 -7.85 56.27 Favored Glycine 0 C--N 1.286 -2.196 0 CA-C-O 117.936 -1.48 . . . . 6.46 112.877 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.48 144.59 30.73 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 120.405 2.103 . . . . 12.77 109.733 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mt -116.9 127.29 74.56 Favored 'Isoleucine or valine' 0 C--O 1.254 1.326 0 CA-C-N 115.225 -0.898 . . . . 13.57 110.288 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HH ' HG12 ' A' ' 24' ' ' VAL . 65.6 t80 -92.99 123.7 36.43 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 103.509 -2.775 . . . . 7.25 103.509 178.516 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . 0.575 HD21 ' H ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -113.85 115.21 46.26 Favored Pre-proline 0 N--CA 1.483 1.209 0 N-CA-C 104.869 -2.271 . . . . 13.83 104.869 179.761 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' N ' HD21 ' A' ' 14' ' ' ASN . 39.5 Cg_endo -57.93 -24.35 64.43 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 O-C-N 124.55 1.816 . . . . 10.72 113.229 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . 0.575 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.3 OUTLIER -73.58 -22.84 59.94 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 120.268 1.394 . . . . 25.6 110.607 179.747 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . 1.369 ' HB2' ' O ' ' A' ' 212' ' ' HOH . 36.5 t0 -108.86 -16.08 14.24 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 117.969 -1.492 . . . . 24.63 109.041 179.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.86 -152.03 40.26 Favored Glycine 0 N--CA 1.515 3.952 0 N-CA-C 108.59 -1.804 . . . . 10.16 108.59 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 39.6 t0 -151.15 66.96 7.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 N-CA-C 100.436 -3.913 . . . . 11.26 100.436 178.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . 0.329 40.2 Cg_endo -54.8 -34.73 86.1 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 N-CA-C 118.854 2.598 . . . . 9.55 118.854 -177.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.64 -21.79 65.95 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 119.062 0.846 . . . . 19.18 110.852 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -112.53 24.04 12.92 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.413 0.625 . . . . 12.79 111.354 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.51 19.85 78.99 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 118.117 2.007 . . . . 8.92 118.117 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . 0.733 HG13 HG12 ' A' ' 33' ' ' ILE . 68.8 t -109.57 108.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 103.63 -2.73 . . . . 7.79 103.63 179.91 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.63 151.09 79.83 Favored Pre-proline 0 C--N 1.302 -1.476 0 C-N-CA 117.479 -1.688 . . . . 6.7 115.332 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -54.72 142.32 73.62 Favored 'Trans proline' 0 N--CA 1.434 -2.002 0 N-CA-C 106.202 -2.269 . . . . 9.92 106.202 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.84 0.75 68.48 Favored Glycine 1 CA--C 1.58 4.131 0 CA-C-N 115.622 -0.717 . . . . 10.75 111.857 -178.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.3 m -89.16 127.01 35.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 119.365 -2.256 . . . . 8.71 110.376 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.0 p30 -76.71 152.73 35.6 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 116.964 -1.895 . . . . 21.86 107.082 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' A' ' 33' ' ' ILE . 45.1 t80 -50.86 -41.19 57.82 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.338 0.866 . . . . 7.44 113.338 -178.088 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 28.8 ttpp -58.17 -35.91 72.27 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.18 -0.608 . . . . 13.59 112.436 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -83.13 -4.5 58.44 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.49 1.293 . . . . 14.72 114.49 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . 0.733 HG12 HG13 ' A' ' 24' ' ' VAL . 52.5 mt -69.06 133.33 89.9 Favored Pre-proline 0 C--N 1.297 -1.702 0 N-CA-C 105.611 -1.996 . . . . 8.06 105.611 178.898 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.439 32.8 Cg_endo -52.72 134.91 55.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 CA-C-O 123.364 1.318 . . . . 9.85 111.312 178.303 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.8 -5.1 1.16 Allowed 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 118.546 2.795 . . . . 6.84 118.546 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -99.62 0.46 42.14 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 118.46 -1.296 . . . . 11.99 108.247 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 75.7 t90 -70.05 147.22 50.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 107.251 -1.388 . . . . 8.11 107.251 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.19 160.25 33.77 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 122.119 0.961 . . . . 8.93 109.125 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.06 127.25 75.52 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 119.515 -0.874 . . . . 6.89 109.107 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 41.8 Cg_endo -64.85 -23.28 62.46 Favored 'Trans proline' 0 CA--C 1.562 1.889 0 O-C-N 123.523 1.275 . . . . 9.87 113.406 179.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.16 -30.15 16.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.377 -2.077 . . . . 11.49 114.293 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.82 -5.31 5.12 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.836 2.107 . . . . 9.21 115.504 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.35 3.27 88.53 Favored Glycine 0 C--O 1.214 -1.114 0 CA-C-O 116.028 -2.54 . . . . 9.03 118.106 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG23 ' HB2' ' A' ' 48' ' ' GLN . 19.3 m -80.21 164.6 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 CA-C-N 123.171 3.486 . . . . 8.41 109.395 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.06 168.65 54.18 Favored Glycine 0 C--N 1.279 -2.612 0 CA-C-O 123.578 1.655 . . . . 7.74 114.677 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -59.39 -26.08 64.82 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.747 -0.855 . . . . 7.75 111.15 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -59.96 -18.36 44.94 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-O 118.523 -0.751 . . . . 18.48 111.338 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . 0.556 ' HB2' HG23 ' A' ' 44' ' ' VAL . 95.6 mm-40 -93.69 3.45 55.45 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.724 -0.791 . . . . 8.91 111.096 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 6' ' ' CYS . 22.1 m-85 -93.78 159.18 15.31 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.724 1.25 . . . . 7.73 109.966 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -141.18 145.78 36.11 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 106.521 -1.659 . . . . 15.66 106.521 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -65.69 136.75 56.69 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 114.759 -1.11 . . . . 13.06 109.81 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -88.4 112.02 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 101.742 -3.429 . . . . 11.36 101.742 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -88.91 134.83 33.83 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 123.305 1.526 . . . . 18.23 113.315 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.293 -1.853 0 CA-C-O 115.715 -2.088 . . . . 31.52 105.799 179.293 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ' FE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . 1.369 ' O ' ' HB2' ' A' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtm . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 108.107 -1.072 . . . . 16.33 108.107 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.56 156.07 18.42 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 115.639 1.718 . . . . 17.29 115.639 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -85.04 157.63 20.68 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 104.153 -2.536 . . . . 14.92 104.153 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.98 143.58 50.19 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 105.288 -2.116 . . . . 7.18 105.288 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 117.86 -1.536 . . . . 9.38 110.35 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.3 t -79.87 119.14 22.34 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 104.99 -2.226 . . . . 6.2 104.99 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -76.74 -3.0 35.9 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 120.319 -0.553 . . . . 7.62 111.974 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 t -93.63 -43.56 13.45 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.137 0 C-N-CA 117.908 -1.517 . . . . 7.06 108.275 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 p -115.94 -15.54 11.2 Favored 'General case' 0 C--O 1.199 -1.605 0 N-CA-C 117.423 2.379 . . . . 6.84 117.423 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.52 -7.85 56.27 Favored Glycine 0 C--N 1.286 -2.196 0 CA-C-O 117.936 -1.48 . . . . 6.24 112.877 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.48 144.59 30.73 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 120.405 2.103 . . . . 12.77 109.733 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mt -116.9 127.29 74.56 Favored 'Isoleucine or valine' 0 C--O 1.254 1.326 0 CA-C-N 115.225 -0.898 . . . . 13.57 110.288 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -92.99 123.7 36.43 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 103.509 -2.775 . . . . 6.66 103.509 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -113.85 115.21 46.26 Favored Pre-proline 0 N--CA 1.483 1.209 0 N-CA-C 104.869 -2.271 . . . . 13.83 104.869 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -57.93 -24.35 64.43 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 O-C-N 124.55 1.816 . . . . 10.72 113.229 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -22.84 59.94 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 120.268 1.394 . . . . 25.6 110.607 179.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . 1.261 ' HB2' ' O ' ' A' ' 212' ' ' HOH . 36.5 t0 -108.86 -16.08 14.24 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 117.969 -1.492 . . . . 24.63 109.041 179.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.86 -152.03 40.26 Favored Glycine 0 N--CA 1.515 3.952 0 N-CA-C 108.59 -1.804 . . . . 9.27 108.59 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -151.15 66.96 7.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 N-CA-C 100.436 -3.913 . . . . 11.26 100.436 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . 0.329 40.2 Cg_endo -54.8 -34.73 86.1 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 N-CA-C 118.854 2.598 . . . . 9.54 118.854 -177.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.64 -21.79 65.95 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 119.062 0.846 . . . . 19.18 110.852 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -112.53 24.04 12.92 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.413 0.625 . . . . 12.79 111.354 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.51 19.85 78.99 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 118.117 2.007 . . . . 8.9 118.117 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.57 108.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 103.63 -2.73 . . . . 6.6 103.63 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.63 151.09 79.83 Favored Pre-proline 0 C--N 1.302 -1.476 0 C-N-CA 117.479 -1.688 . . . . 6.7 115.332 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -54.72 142.32 73.62 Favored 'Trans proline' 0 N--CA 1.434 -2.002 0 N-CA-C 106.202 -2.269 . . . . 8.97 106.202 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.84 0.75 68.48 Favored Glycine 1 CA--C 1.58 4.131 0 CA-C-N 115.622 -0.717 . . . . 10.75 111.857 -178.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.3 m -89.16 127.01 35.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 119.365 -2.256 . . . . 7.75 110.376 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.0 p30 -76.71 152.73 35.6 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 116.964 -1.895 . . . . 21.86 107.082 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -50.86 -41.19 57.82 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.338 0.866 . . . . 7.34 113.338 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.17 -35.91 72.27 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.18 -0.608 . . . . 13.59 112.436 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -83.13 -4.5 58.44 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.49 1.293 . . . . 14.72 114.49 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.06 133.33 89.9 Favored Pre-proline 0 C--N 1.297 -1.702 0 N-CA-C 105.611 -1.996 . . . . 7.37 105.611 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.439 32.8 Cg_endo -52.72 134.91 55.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 CA-C-O 123.364 1.318 . . . . 9.85 111.312 178.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.8 -5.1 1.16 Allowed 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 118.546 2.795 . . . . 6.84 118.546 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -99.62 0.46 42.14 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 118.46 -1.296 . . . . 11.99 108.247 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -70.05 147.22 50.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 107.251 -1.388 . . . . 7.51 107.251 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.19 160.25 33.77 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 122.119 0.961 . . . . 8.82 109.125 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.06 127.25 75.52 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 119.515 -0.874 . . . . 6.4 109.107 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -64.85 -23.28 62.46 Favored 'Trans proline' 0 CA--C 1.562 1.889 0 O-C-N 123.523 1.275 . . . . 9.87 113.406 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.16 -30.15 16.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.377 -2.077 . . . . 11.49 114.293 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.82 -5.31 5.12 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.836 2.107 . . . . 9.21 115.504 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.35 3.27 88.53 Favored Glycine 0 C--O 1.214 -1.114 0 CA-C-O 116.028 -2.54 . . . . 9.03 118.106 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.21 164.6 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 CA-C-N 123.171 3.486 . . . . 7.97 109.395 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.06 168.65 54.18 Favored Glycine 0 C--N 1.279 -2.612 0 CA-C-O 123.578 1.655 . . . . 7.68 114.677 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -59.39 -26.08 64.82 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.747 -0.855 . . . . 7.43 111.15 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -59.96 -18.36 44.94 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-O 118.523 -0.751 . . . . 18.48 111.338 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -93.69 3.45 55.45 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.724 -0.791 . . . . 8.91 111.096 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -93.78 159.18 15.31 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.724 1.25 . . . . 7.73 109.966 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -141.18 145.78 36.11 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 106.521 -1.659 . . . . 15.66 106.521 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -65.69 136.75 56.69 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 114.759 -1.11 . . . . 13.06 109.81 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -88.4 112.02 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 101.742 -3.429 . . . . 11.36 101.742 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -88.91 134.83 33.83 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 123.305 1.526 . . . . 18.23 113.315 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.293 -1.853 0 CA-C-O 115.715 -2.088 . . . . 31.52 105.799 179.293 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ' FE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . 1.261 ' O ' ' HB2' ' A' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtm . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 108.107 -1.072 . . . . 16.329999999999998 108.107 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.56 156.07 18.42 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 115.639 1.718 . . . . 17.289999999999999 115.639 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -85.04 157.63 20.68 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 104.153 -2.536 . . . . 14.92 104.153 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.98 143.58 50.19 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 105.288 -2.116 . . . . 7.1799999999999997 105.288 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 117.86 -1.536 . . . . 9.3800000000000008 110.35 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.3 t -79.87 119.14 22.34 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 104.99 -2.226 . . . . 6.2000000000000002 104.99 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -76.74 -3.0 35.9 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 120.319 -0.553 . . . . 7.6200000000000001 111.974 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 t -93.63 -43.56 13.45 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.137 0 C-N-CA 117.908 -1.517 . . . . 7.0599999999999996 108.275 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 p -115.94 -15.54 11.2 Favored 'General case' 0 C--O 1.199 -1.605 0 N-CA-C 117.423 2.379 . . . . 6.8399999999999999 117.423 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.52 -7.85 56.27 Favored Glycine 0 C--N 1.286 -2.196 0 CA-C-O 117.936 -1.48 . . . . 6.2400000000000002 112.877 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.48 144.59 30.73 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 120.405 2.103 . . . . 12.77 109.733 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mt -116.9 127.29 74.56 Favored 'Isoleucine or valine' 0 C--O 1.254 1.326 0 CA-C-N 115.225 -0.898 . . . . 13.57 110.288 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -92.99 123.7 36.43 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 103.509 -2.775 . . . . 6.6600000000000001 103.509 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -113.85 115.21 46.26 Favored Pre-proline 0 N--CA 1.483 1.209 0 N-CA-C 104.869 -2.271 . . . . 13.83 104.869 179.761 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -57.93 -24.35 64.43 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 O-C-N 124.55 1.816 . . . . 10.720000000000001 113.229 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -73.58 -22.84 59.94 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 120.268 1.394 . . . . 25.600000000000001 110.607 179.747 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . 1.261 ' HB2' ' O ' ' A' ' 212' ' ' HOH . 36.5 t0 -108.86 -16.08 14.24 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 117.969 -1.492 . . . . 24.629999999999999 109.041 179.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.86 -152.03 40.26 Favored Glycine 0 N--CA 1.515 3.952 0 N-CA-C 108.59 -1.804 . . . . 9.2699999999999996 108.59 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -151.15 66.96 7.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 N-CA-C 100.436 -3.913 . . . . 11.26 100.436 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . 0.329 40.2 Cg_endo -54.8 -34.73 86.1 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 N-CA-C 118.854 2.598 . . . . 9.5399999999999991 118.854 -177.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.64 -21.79 65.95 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 119.062 0.846 . . . . 19.18 110.852 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -112.53 24.04 12.92 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.413 0.625 . . . . 12.789999999999999 111.354 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.51 19.85 78.99 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 118.117 2.007 . . . . 8.9000000000000004 118.117 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.57 108.09 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 N-CA-C 103.63 -2.73 . . . . 6.5999999999999996 103.63 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -77.63 151.09 79.83 Favored Pre-proline 0 C--N 1.302 -1.476 0 C-N-CA 117.479 -1.688 . . . . 6.7000000000000002 115.332 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -54.72 142.32 73.62 Favored 'Trans proline' 0 N--CA 1.434 -2.002 0 N-CA-C 106.202 -2.269 . . . . 8.9700000000000006 106.202 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.84 0.75 68.48 Favored Glycine 1 CA--C 1.58 4.131 0 CA-C-N 115.622 -0.717 . . . . 10.75 111.857 -178.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.3 m -89.16 127.01 35.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 119.365 -2.256 . . . . 7.75 110.376 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.0 p30 -76.71 152.73 35.6 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 116.964 -1.895 . . . . 21.859999999999999 107.082 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -50.86 -41.19 57.82 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.338 0.866 . . . . 7.3399999999999999 113.338 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.17 -35.91 72.27 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 120.18 -0.608 . . . . 13.59 112.436 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -83.13 -4.5 58.44 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.49 1.293 . . . . 14.720000000000001 114.49 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.06 133.33 89.9 Favored Pre-proline 0 C--N 1.297 -1.702 0 N-CA-C 105.611 -1.996 . . . . 7.3700000000000001 105.611 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.439 32.8 Cg_endo -52.72 134.91 55.53 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 CA-C-O 123.364 1.318 . . . . 9.8499999999999996 111.312 178.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.8 -5.1 1.16 Allowed 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 118.546 2.795 . . . . 6.8399999999999999 118.546 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -99.62 0.46 42.14 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 118.46 -1.296 . . . . 11.99 108.247 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -70.05 147.22 50.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 107.251 -1.388 . . . . 7.5099999999999998 107.251 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.19 160.25 33.77 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 122.119 0.961 . . . . 8.8200000000000003 109.125 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.06 127.25 75.52 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 119.515 -0.874 . . . . 6.4000000000000004 109.107 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -64.85 -23.28 62.46 Favored 'Trans proline' 0 CA--C 1.562 1.889 0 O-C-N 123.523 1.275 . . . . 9.8699999999999992 113.406 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.16 -30.15 16.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 119.377 -2.077 . . . . 11.49 114.293 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.82 -5.31 5.12 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.836 2.107 . . . . 9.2100000000000009 115.504 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.35 3.27 88.53 Favored Glycine 0 C--O 1.214 -1.114 0 CA-C-O 116.028 -2.54 . . . . 9.0299999999999994 118.106 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.21 164.6 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 CA-C-N 123.171 3.486 . . . . 7.9699999999999998 109.395 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.06 168.65 54.18 Favored Glycine 0 C--N 1.279 -2.612 0 CA-C-O 123.578 1.655 . . . . 7.6799999999999997 114.677 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -59.39 -26.08 64.82 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.747 -0.855 . . . . 7.4299999999999997 111.15 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -59.96 -18.36 44.94 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-O 118.523 -0.751 . . . . 18.48 111.338 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -93.69 3.45 55.45 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.724 -0.791 . . . . 8.9100000000000001 111.096 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -93.78 159.18 15.31 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 122.724 1.25 . . . . 7.7300000000000004 109.966 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -141.18 145.78 36.11 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 106.521 -1.659 . . . . 15.66 106.521 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -65.69 136.75 56.69 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 114.759 -1.11 . . . . 13.06 109.81 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -88.4 112.02 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 101.742 -3.429 . . . . 11.359999999999999 101.742 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -88.91 134.83 33.83 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 123.305 1.526 . . . . 18.23 113.315 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.293 -1.853 0 CA-C-O 115.715 -2.088 . . . . 31.52 105.799 179.293 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ' FE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . 1.261 ' O ' ' HB2' ' A' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_