data_1csw_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 1csw _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 ' -5' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.253 1.271 0 N-CA-C 114.18 1.178 . . . . 55.59 114.18 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -127.14 25.32 6.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 126.456 2.348 . . . . 54.46 110.703 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.82 118.64 25.04 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 112.141 -2.299 . . . . 45.88 107.045 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -115.99 140.78 48.91 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 127.272 2.858 . . . . 41.12 108.012 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -61.36 142.63 56.79 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 127.779 3.174 . . . . 26.87 110.262 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -126.39 -145.04 6.25 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-N 112.451 -2.159 . . . . 21.44 109.063 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -96.54 113.26 24.81 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-N 111.969 -2.115 . . . . 16.86 111.758 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.72 77.04 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 127.214 2.821 . . . . 14.55 110.724 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' CG ' ' O1 ' ' A' ' 117' ' ' SO4 . 85.3 mttt -65.08 -45.78 83.84 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 123.196 1.474 . . . . 24.67 110.443 -177.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 112.97 -1.923 . . . . 26.82 108.336 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.13 -37.92 94.73 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 110.033 -1.227 . . . . 9.8 110.033 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.11 84.66 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 114.407 -2.711 . . . . 9.85 108.252 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 p -75.72 -28.15 58.44 Favored 'General case' 0 C--N 1.307 -1.249 1 O-C-N 129.297 4.123 . . . . 12.76 111.804 -175.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.08 -46.05 89.21 Favored 'General case' 0 CA--C 1.57 1.725 0 C-N-CA 114.817 -2.753 . . . . 10.6 107.193 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.37 -50.36 71.79 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 111.859 -2.428 . . . . 11.82 110.434 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -54.8 -52.6 62.16 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.81 -1.182 . . . . 32.33 107.81 -179.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 p -74.73 -24.31 58.7 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 116.183 1.92 . . . . 21.29 116.183 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -122.01 -20.22 6.38 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 122.284 2.311 . . . . 40.58 115.474 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m -119.25 -21.34 7.59 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 116.733 2.123 . . . . 5.94 116.733 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.41 -34.16 76.19 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 115.673 -2.108 . . . . 6.4 112.985 -173.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 211' ' ' HOH . 32.1 tt0 -51.93 -33.9 39.34 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 128.382 3.551 . . . . 13.4 110.337 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.7 m -122.13 0.29 9.57 Favored 'General case' 0 C--O 1.274 2.356 0 C-N-CA 114.364 -2.934 . . . . 8.9 118.225 -176.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.0 160.57 40.62 Favored 'General case' 0 C--O 1.267 1.981 0 CA-C-O 125.054 2.359 . . . . 4.44 115.194 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.4 p -122.09 158.61 28.87 Favored 'General case' 0 C--O 1.256 1.419 0 C-N-CA 129.459 3.104 . . . . 6.39 105.591 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.1 m -127.31 -14.56 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-O 125.076 2.369 . . . . 12.73 110.87 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 20.7 pm0 -74.24 148.2 41.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 127.165 3.364 . . . . 29.82 112.484 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -63.06 121.78 14.44 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 111.623 -2.535 . . . . 26.93 104.45 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.02 9.93 69.96 Favored Glycine 0 C--O 1.275 2.696 0 CA-C-N 121.095 1.771 . . . . 14.72 113.736 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.64 151.39 21.27 Favored Glycine 0 CA--C 1.562 3.004 1 N-CA-C 102.63 -4.188 . . . . 11.96 102.63 178.022 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -85.77 164.98 10.43 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 N-CA-C 115.834 1.436 . . . . 7.99 115.834 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -75.8 150.27 37.75 Favored 'General case' 0 C--O 1.272 2.271 0 N-CA-C 102.212 -3.255 . . . . 15.38 102.212 175.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.58 -125.36 0.21 Allowed 'General case' 0 C--O 1.289 3.132 0 N-CA-C 101.486 -3.524 . . . . 17.99 101.486 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 t -64.66 -36.67 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-O 125.92 2.771 . . . . 7.32 108.616 172.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.19 162.05 12.52 Favored Glycine 0 N--CA 1.498 2.827 0 CA-C-N 111.109 -2.769 . . . . 8.55 106.872 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.46 152.34 75.21 Favored 'Trans proline' 0 C--O 1.239 0.548 0 O-C-N 124.571 1.827 . . . . 6.14 112.614 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.0 141.93 58.01 Favored 'General case' 0 N--CA 1.528 3.46 0 N-CA-C 101.945 -3.354 . . . . 6.43 101.945 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.38 4.7 41.72 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 117.201 2.297 . . . . 10.14 117.201 -176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -52.93 137.19 33.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.656 -1.609 . . . . 20.85 106.656 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.19 25.55 62.51 Favored Glycine 0 N--CA 1.414 -2.772 0 CA-C-N 110.16 -3.2 . . . . 10.28 115.224 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 tp -62.06 -34.78 65.08 Favored 'Isoleucine or valine' 0 C--O 1.288 3.126 0 CA-C-N 120.217 2.008 . . . . 12.66 115.661 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -70.05 126.37 29.49 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.813 -1.179 . . . . 23.06 109.635 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -16.07 62.01 Favored Glycine 0 C--O 1.263 1.924 0 CA-C-O 115.542 -2.81 . . . . 20.15 112.683 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 168' ' ' HOH 0.27 11.2 ptt-85 -95.91 160.64 14.37 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 126.696 2.056 . . . . 33.19 109.61 179.476 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -90.43 165.15 13.99 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 103.767 -2.679 . . . . 21.24 103.767 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.5 p -69.77 152.52 44.52 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 125.872 2.748 . . . . 13.67 109.939 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.57 26.8 72.06 Favored Glycine 0 C--O 1.267 2.184 0 C-N-CA 128.955 3.169 . . . . 12.98 115.926 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -111.22 10.57 21.78 Favored 'General case' 0 C--O 1.256 1.444 0 N-CA-C 117.34 2.348 . . . . 26.91 117.34 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.97 129.83 36.68 Favored 'General case' 0 C--O 1.294 3.421 0 N-CA-C 104.873 -2.269 . . . . 18.0 104.873 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -87.03 147.08 25.86 Favored 'General case' 0 N--CA 1.518 2.951 1 C-N-CA 111.482 -4.087 . . . . 37.47 110.826 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.74 6.98 69.32 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 110.266 -3.152 . . . . 14.92 107.439 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.252 52.1 t80 -116.47 133.81 55.58 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 124.518 2.104 . . . . 12.68 111.293 -179.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -89.44 86.63 6.83 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 112.213 -2.267 . . . . 18.14 114.962 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -76.74 165.65 24.45 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 119.206 -2.184 . . . . 11.55 110.795 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -79.07 163.29 25.24 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.742 -1.948 . . . . 12.59 105.742 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -59.14 -40.63 86.11 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 125.872 1.983 . . . . 29.49 107.132 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -58.56 6.82 Favored 'General case' 0 C--O 1.276 2.492 0 N-CA-C 115.47 1.656 . . . . 15.44 115.47 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.01 -50.35 64.39 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 112.606 -2.088 . . . . 20.06 109.139 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.21 -50.96 43.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 116.259 1.948 . . . . 23.26 116.259 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -75.61 -18.98 59.53 Favored 'General case' 0 C--O 1.255 1.389 0 C-N-CA 125.944 1.698 . . . . 37.58 113.867 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' CG ' ' CG2' ' A' ' 57' ' ' VAL . 19.9 tptt -69.71 -34.39 73.82 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 106.252 -1.758 . . . . 26.37 106.252 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 43.47 49.26 6.25 Favored 'General case' 0 C--N 1.288 -2.07 1 C-N-CA 132.692 4.397 . . . . 27.89 112.208 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . 0.494 ' CG2' ' CG ' ' A' ' 55' ' ' LYS . 87.1 t -68.49 136.84 25.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.091 0 O-C-N 126.722 2.514 . . . . 27.49 111.592 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 2.3 tm? -96.28 114.03 25.68 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 100.312 -3.959 . . . . 26.76 100.312 177.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -77.21 121.12 23.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.162 1.541 . . . . 21.29 115.162 -177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -143.41 157.48 44.42 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 128.211 3.444 . . . . 26.39 106.322 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.14 -32.92 0.3 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 125.617 1.823 . . . . 26.7 112.532 -179.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -78.6 -47.07 17.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 119.858 3.281 . . . . 29.94 119.858 -175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 58' ' ' LEU . 1.2 m-20 -63.33 -49.34 74.33 Favored 'General case' 0 C--N 1.272 -2.787 2 CA-C-O 131.921 5.629 . . . . 30.3 107.894 176.78 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.8 tpp -55.72 -38.77 70.18 Favored 'General case' 0 N--CA 1.483 1.175 1 CA-C-N 106.956 -4.657 . . . . 18.3 109.379 -179.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.5 t -65.12 -43.86 90.58 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 124.309 2.004 . . . . 14.19 110.772 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -45.68 77.04 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 112.059 -2.337 . . . . 37.97 104.946 -179.808 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.0 -51.47 67.62 Favored 'General case' 0 C--O 1.274 2.376 0 O-C-N 126.079 2.112 . . . . 12.99 111.514 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.2 -17.87 59.42 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 116.643 2.09 . . . . 15.51 116.643 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -68.48 -39.27 81.42 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 124.576 1.173 . . . . 20.58 109.529 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -172.62 87.78 0.41 Allowed Pre-proline 0 C--O 1.25 1.117 0 O-C-N 125.911 2.007 . . . . 26.16 107.901 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.25 1.1 Cg_endo -54.11 -44.13 52.08 Favored 'Trans proline' 0 C--O 1.256 1.391 0 CA-C-O 114.23 -2.488 . . . . 12.89 114.999 -176.545 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 1 O-C-N 129.573 4.295 . . . . 18.3 113.41 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -75.54 -37.84 59.73 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 125.634 1.834 . . . . 24.06 106.113 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -72.64 -44.39 61.96 Favored 'General case' 0 C--O 1.259 1.605 0 CA-C-O 121.859 0.838 . . . . 27.91 112.622 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 mt -127.24 80.66 71.32 Favored Pre-proline 0 N--CA 1.496 1.87 0 CA-C-O 123.682 1.706 . . . . 16.63 110.685 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -58.36 127.37 24.51 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 121.404 1.403 . . . . 14.4 109.933 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.38 -9.76 57.66 Favored Glycine 0 N--CA 1.486 1.978 0 C-N-CA 118.531 -1.795 . . . . 12.33 110.79 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -62.45 142.38 57.92 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 120.455 -1.614 . . . . 12.95 110.269 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -93.13 8.7 39.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 115.149 -2.358 . . . . 14.79 108.586 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.6 ttt -70.56 107.57 3.94 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 128.161 3.413 . . . . 14.0 103.993 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 122' ' ' HOH . . . -87.01 60.17 6.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 128.03 3.332 . . . . 14.86 113.554 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -121.68 133.88 54.96 Favored 'General case' 0 N--CA 1.515 2.805 0 N-CA-C 103.273 -2.862 . . . . 19.11 103.273 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.48 -52.62 47.75 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 125.22 1.575 . . . . 20.0 111.559 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.18 165.08 10.13 Favored Glycine 0 N--CA 1.483 1.816 0 N-CA-C 107.63 -2.188 . . . . 16.7 107.63 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttm -118.8 100.51 7.44 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 126.807 3.194 . . . . 24.86 107.281 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -76.94 -28.56 55.26 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 118.881 2.919 . . . . 33.58 118.881 -175.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -82.03 125.15 30.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.253 -1.017 . . . . 31.55 108.253 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -65.82 -33.79 76.67 Favored 'General case' 0 C--O 1.268 2.049 0 O-C-N 128.134 3.396 . . . . 37.44 108.077 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -63.62 -40.74 97.68 Favored 'General case' 0 C--O 1.264 1.86 0 O-C-N 120.26 -1.525 . . . . 24.22 109.928 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -61.73 -45.88 92.05 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 107.343 -1.355 . . . . 16.19 107.343 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -65.99 -40.59 91.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 125.385 1.678 . . . . 11.85 113.343 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 144' ' ' HOH . 95.1 m-20 -59.38 -44.41 92.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 115.765 -2.064 . . . . 13.8 107.723 -179.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.25 -47.19 87.03 Favored 'General case' 0 C--O 1.271 2.195 1 O-C-N 130.108 4.63 . . . . 7.89 112.284 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.53 -46.25 73.38 Favored 'General case' 0 N--CA 1.528 3.443 0 CA-C-N 114.841 -1.072 . . . . 8.31 112.695 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.25 -29.52 47.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 CA-C-N 121.039 1.745 . . . . 8.35 110.505 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.9 m -66.85 -40.15 87.82 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 115.922 -1.99 . . . . 15.22 108.667 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.23 -50.12 50.15 Favored 'General case' 0 C--O 1.259 1.557 0 O-C-N 126.953 2.658 . . . . 13.39 109.295 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.37 -51.43 69.84 Favored 'General case' 0 N--CA 1.504 2.274 0 CA-C-N 110.147 -3.206 . . . . 21.01 109.532 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -50.55 -29.95 11.91 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 126.127 2.142 . . . . 35.42 111.57 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -90.49 -39.64 12.47 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.571 -2.581 . . . . 34.71 115.68 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.44 29.21 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 114.762 -2.542 . . . . 12.4 114.062 -173.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.8 p -93.24 9.26 36.88 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 125.402 1.689 . . . . 19.41 111.821 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.242 0.668 0 CA-C-O 115.563 -2.161 . . . . 40.45 110.791 -179.171 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . 0.429 ' O1 ' ' CG ' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . 0.428 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.442 ' O ' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . 0.51 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.253 1.271 0 N-CA-C 114.18 1.178 . . . . 55.59 114.18 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -127.14 25.32 6.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 126.456 2.348 . . . . 54.46 110.703 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.82 118.64 25.04 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 112.141 -2.299 . . . . 45.88 107.045 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 18.0 mtmm -115.99 140.78 48.91 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 127.272 2.858 . . . . 41.12 108.012 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -61.36 142.63 56.79 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 127.779 3.174 . . . . 26.87 110.262 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -126.39 -145.04 6.25 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-N 112.451 -2.159 . . . . 21.44 109.063 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -96.54 113.26 24.81 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-N 111.969 -2.115 . . . . 16.86 111.758 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.72 77.04 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 127.214 2.821 . . . . 14.55 110.724 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.914 ' HG3' ' O1 ' ' A' ' 117' ' ' SO4 . 85.3 mttt -65.08 -45.78 83.84 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 123.196 1.474 . . . . 24.67 110.443 -177.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 112.97 -1.923 . . . . 26.82 108.336 179.002 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.13 -37.92 94.73 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 110.033 -1.227 . . . . 9.8 110.033 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.11 84.66 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 114.407 -2.711 . . . . 9.85 108.252 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 p -75.72 -28.15 58.44 Favored 'General case' 0 C--N 1.307 -1.249 1 O-C-N 129.297 4.123 . . . . 12.76 111.804 -175.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.08 -46.05 89.21 Favored 'General case' 0 CA--C 1.57 1.725 0 C-N-CA 114.817 -2.753 . . . . 10.6 107.193 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 58.2 t80 -56.37 -50.36 71.79 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 111.859 -2.428 . . . . 11.82 110.434 -176.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -54.8 -52.6 62.16 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.81 -1.182 . . . . 32.33 107.81 -179.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 p -74.73 -24.31 58.7 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 116.183 1.92 . . . . 21.29 116.183 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -122.01 -20.22 6.38 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 122.284 2.311 . . . . 40.58 115.474 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 20.0 m -119.25 -21.34 7.59 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 116.733 2.123 . . . . 5.94 116.733 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.41 -34.16 76.19 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 115.673 -2.108 . . . . 6.4 112.985 -173.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' ' 191' ' ' HOH . 32.1 tt0 -51.93 -33.9 39.34 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 128.382 3.551 . . . . 13.4 110.337 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.7 m -122.13 0.29 9.57 Favored 'General case' 0 C--O 1.274 2.356 0 C-N-CA 114.364 -2.934 . . . . 8.9 118.225 -176.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.0 160.57 40.62 Favored 'General case' 0 C--O 1.267 1.981 0 CA-C-O 125.054 2.359 . . . . 4.44 115.194 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.4 p -122.09 158.61 28.87 Favored 'General case' 0 C--O 1.256 1.419 0 C-N-CA 129.459 3.104 . . . . 6.39 105.591 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 20.1 m -127.31 -14.56 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-O 125.076 2.369 . . . . 12.73 110.87 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 216' ' ' HOH . 20.7 pm0 -74.24 148.2 41.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 127.165 3.364 . . . . 29.82 112.484 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -63.06 121.78 14.44 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 111.623 -2.535 . . . . 26.93 104.45 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.02 9.93 69.96 Favored Glycine 0 C--O 1.275 2.696 0 CA-C-N 121.095 1.771 . . . . 14.72 113.736 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.64 151.39 21.27 Favored Glycine 0 CA--C 1.562 3.004 1 N-CA-C 102.63 -4.188 . . . . 11.96 102.63 178.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -85.77 164.98 10.43 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 N-CA-C 115.834 1.436 . . . . 7.99 115.834 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 23.0 m-70 -75.8 150.27 37.75 Favored 'General case' 0 C--O 1.272 2.271 0 N-CA-C 102.212 -3.255 . . . . 15.38 102.212 175.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 125' ' ' HOH . 31.4 mtmt -129.58 -125.36 0.21 Allowed 'General case' 0 C--O 1.289 3.132 0 N-CA-C 101.486 -3.524 . . . . 17.99 101.486 177.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.428 ' O ' HMD3 ' A' ' 104' ' ' HEM . 27.0 t -64.66 -36.67 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-O 125.92 2.771 . . . . 7.32 108.616 172.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.19 162.05 12.52 Favored Glycine 0 N--CA 1.498 2.827 0 CA-C-N 111.109 -2.769 . . . . 8.55 106.872 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.46 152.34 75.21 Favored 'Trans proline' 0 C--O 1.239 0.548 0 O-C-N 124.571 1.827 . . . . 6.14 112.614 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.0 141.93 58.01 Favored 'General case' 0 N--CA 1.528 3.46 0 N-CA-C 101.945 -3.354 . . . . 6.43 101.945 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.38 4.7 41.72 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 117.201 2.297 . . . . 10.14 117.201 -176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -52.93 137.19 33.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.656 -1.609 . . . . 20.85 106.656 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.19 25.55 62.51 Favored Glycine 0 N--CA 1.414 -2.772 0 CA-C-N 110.16 -3.2 . . . . 10.28 115.224 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 tp -62.06 -34.78 65.08 Favored 'Isoleucine or valine' 0 C--O 1.288 3.126 0 CA-C-N 120.217 2.008 . . . . 12.66 115.661 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -70.05 126.37 29.49 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.813 -1.179 . . . . 23.06 109.635 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -16.07 62.01 Favored Glycine 0 C--O 1.263 1.924 0 CA-C-O 115.542 -2.81 . . . . 20.15 112.683 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.27 11.2 ptt-85 -95.91 160.64 14.37 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 126.696 2.056 . . . . 33.19 109.61 179.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CE1' HD23 ' A' ' 58' ' ' LEU . 62.2 m80 -90.43 165.15 13.99 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 103.767 -2.679 . . . . 21.24 103.767 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.5 p -69.77 152.52 44.52 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 125.872 2.748 . . . . 13.67 109.939 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 65.57 26.8 72.06 Favored Glycine 0 C--O 1.267 2.184 0 C-N-CA 128.955 3.169 . . . . 12.98 115.926 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -111.22 10.57 21.78 Favored 'General case' 0 C--O 1.256 1.444 0 N-CA-C 117.34 2.348 . . . . 26.91 117.34 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.97 129.83 36.68 Favored 'General case' 0 C--O 1.294 3.421 0 N-CA-C 104.873 -2.269 . . . . 18.0 104.873 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -87.03 147.08 25.86 Favored 'General case' 0 N--CA 1.518 2.951 1 C-N-CA 111.482 -4.087 . . . . 37.47 110.826 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.74 6.98 69.32 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 110.266 -3.152 . . . . 14.92 107.439 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 26' ' ' HIS 0.252 52.1 t80 -116.47 133.81 55.58 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 124.518 2.104 . . . . 12.68 111.293 -179.381 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 185' ' ' HOH . 22.9 t -89.44 86.63 6.83 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 112.213 -2.267 . . . . 18.14 114.962 -179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 93.9 m-85 -76.74 165.65 24.45 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 119.206 -2.184 . . . . 11.55 110.795 -178.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' HG2' ' A' ' 79' ' ' LYS . 43.6 p -79.07 163.29 25.24 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.742 -1.948 . . . . 12.59 105.742 176.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -59.14 -40.63 86.11 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 125.872 1.983 . . . . 29.49 107.132 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -58.56 6.82 Favored 'General case' 0 C--O 1.276 2.492 0 N-CA-C 115.47 1.656 . . . . 15.44 115.47 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.01 -50.35 64.39 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 112.606 -2.088 . . . . 20.06 109.139 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.21 -50.96 43.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 116.259 1.948 . . . . 23.26 116.259 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -75.61 -18.98 59.53 Favored 'General case' 0 C--O 1.255 1.389 0 C-N-CA 125.944 1.698 . . . . 37.58 113.867 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 1.095 ' HG3' HG23 ' A' ' 57' ' ' VAL . 19.9 tptt -69.71 -34.39 73.82 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 106.252 -1.758 . . . . 26.37 106.252 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 43.47 49.26 6.25 Favored 'General case' 0 C--N 1.288 -2.07 1 C-N-CA 132.692 4.397 . . . . 27.89 112.208 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 1.095 HG23 ' HG3' ' A' ' 55' ' ' LYS . 87.1 t -68.49 136.84 25.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.091 0 O-C-N 126.722 2.514 . . . . 27.49 111.592 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 39' ' ' HIS . 2.3 tm? -96.28 114.03 25.68 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 100.312 -3.959 . . . . 26.76 100.312 177.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -77.21 121.12 23.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.162 1.541 . . . . 21.29 115.162 -177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -143.41 157.48 44.42 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 128.211 3.444 . . . . 26.39 106.322 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.541 ' OE1' ' HE2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -41.14 -32.92 0.3 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 125.617 1.823 . . . . 26.7 112.532 -179.952 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -78.6 -47.07 17.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 119.858 3.281 . . . . 29.94 119.858 -175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -49.34 74.33 Favored 'General case' 0 C--N 1.272 -2.787 2 CA-C-O 131.921 5.629 . . . . 30.3 107.894 176.78 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.8 tpp -55.72 -38.77 70.18 Favored 'General case' 0 N--CA 1.483 1.175 1 CA-C-N 106.956 -4.657 . . . . 18.3 109.379 -179.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.5 t -65.12 -43.86 90.58 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 124.309 2.004 . . . . 14.19 110.772 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 127' ' ' HOH . 0.9 OUTLIER -66.95 -45.68 77.04 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 112.059 -2.337 . . . . 37.97 104.946 -179.808 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.0 -51.47 67.62 Favored 'General case' 0 C--O 1.274 2.376 0 O-C-N 126.079 2.112 . . . . 12.99 111.514 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.2 -17.87 59.42 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 116.643 2.09 . . . . 15.51 116.643 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -68.48 -39.27 81.42 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 124.576 1.173 . . . . 20.58 109.529 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -172.62 87.78 0.41 Allowed Pre-proline 0 C--O 1.25 1.117 0 O-C-N 125.911 2.007 . . . . 26.16 107.901 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.25 1.1 Cg_endo -54.11 -44.13 52.08 Favored 'Trans proline' 0 C--O 1.256 1.391 0 CA-C-O 114.23 -2.488 . . . . 12.89 114.999 -176.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . 0.406 HM13 ' HD2' ' A' ' 72' ' ' M3L . . . . . . . . 0 C--O 1.25 1.116 1 O-C-N 129.573 4.295 . . . . 18.3 113.41 -179.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -75.54 -37.84 59.73 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 125.634 1.834 . . . . 24.06 106.113 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -72.64 -44.39 61.96 Favored 'General case' 0 C--O 1.259 1.605 0 CA-C-O 121.859 0.838 . . . . 27.91 112.622 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 mt -127.24 80.66 71.32 Favored Pre-proline 0 N--CA 1.496 1.87 0 CA-C-O 123.682 1.706 . . . . 16.63 110.685 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -58.36 127.37 24.51 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 121.404 1.403 . . . . 14.4 109.933 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.38 -9.76 57.66 Favored Glycine 0 N--CA 1.486 1.978 0 C-N-CA 118.531 -1.795 . . . . 12.33 110.79 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -62.45 142.38 57.92 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 120.455 -1.614 . . . . 12.95 110.269 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 49' ' ' THR . 45.9 pttt -93.13 8.7 39.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 115.149 -2.358 . . . . 14.79 108.586 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.6 ttt -70.56 107.57 3.94 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 128.161 3.413 . . . . 14.0 103.993 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.01 60.17 6.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 128.03 3.332 . . . . 14.86 113.554 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -121.68 133.88 54.96 Favored 'General case' 0 N--CA 1.515 2.805 0 N-CA-C 103.273 -2.862 . . . . 19.11 103.273 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.48 -52.62 47.75 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 125.22 1.575 . . . . 20.0 111.559 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.18 165.08 10.13 Favored Glycine 0 N--CA 1.483 1.816 0 N-CA-C 107.63 -2.188 . . . . 16.7 107.63 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttm -118.8 100.51 7.44 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 126.807 3.194 . . . . 24.86 107.281 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -76.94 -28.56 55.26 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 118.881 2.919 . . . . 33.58 118.881 -175.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -82.03 125.15 30.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.253 -1.017 . . . . 31.55 108.253 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -65.82 -33.79 76.67 Favored 'General case' 0 C--O 1.268 2.049 0 O-C-N 128.134 3.396 . . . . 37.44 108.077 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . 0.605 ' HE2' ' O ' ' A' ' 118' ' ' HOH . 7.2 pttt -63.62 -40.74 97.68 Favored 'General case' 0 C--O 1.264 1.86 0 O-C-N 120.26 -1.525 . . . . 24.22 109.928 179.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -61.73 -45.88 92.05 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 107.343 -1.355 . . . . 16.19 107.343 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -65.99 -40.59 91.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 125.385 1.678 . . . . 11.85 113.343 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' -2' ' ' LYS . 95.1 m-20 -59.38 -44.41 92.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 115.765 -2.064 . . . . 13.8 107.723 -179.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.516 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 78.2 m-20 -60.25 -47.19 87.03 Favored 'General case' 0 C--O 1.271 2.195 1 O-C-N 130.108 4.63 . . . . 7.89 112.284 179.522 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.53 -46.25 73.38 Favored 'General case' 0 N--CA 1.528 3.443 0 CA-C-N 114.841 -1.072 . . . . 8.31 112.695 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 99' ' ' LYS . 33.6 mt -63.25 -29.52 47.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 CA-C-N 121.039 1.745 . . . . 8.35 110.505 179.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.9 m -66.85 -40.15 87.82 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 115.922 -1.99 . . . . 15.22 108.667 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.23 -50.12 50.15 Favored 'General case' 0 C--O 1.259 1.557 0 O-C-N 126.953 2.658 . . . . 13.39 109.295 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.37 -51.43 69.84 Favored 'General case' 0 N--CA 1.504 2.274 0 CA-C-N 110.147 -3.206 . . . . 21.01 109.532 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.541 ' HE2' ' OE1' ' A' ' 61' ' ' GLU . 2.6 mtmp? -50.55 -29.95 11.91 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 126.127 2.142 . . . . 35.42 111.57 178.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -90.49 -39.64 12.47 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.571 -2.581 . . . . 34.71 115.68 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.44 29.21 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 114.762 -2.542 . . . . 12.4 114.062 -173.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.8 p -93.24 9.26 36.88 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 125.402 1.689 . . . . 19.41 111.821 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.242 0.668 0 CA-C-O 115.563 -2.161 . . . . 40.45 110.791 -179.171 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . 0.914 ' O1 ' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . 0.428 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . 0.605 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.692 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . 0.621 ' O ' ' HG3' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.253 1.271 0 N-CA-C 114.18 1.178 . . . . 55.59 114.18 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -127.14 25.32 6.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 126.456 2.348 . . . . 54.46 110.703 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.82 118.64 25.04 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 112.141 -2.299 . . . . 45.88 107.045 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 92' ' ' ASN . 18.0 mtmm -115.99 140.78 48.91 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 127.272 2.858 . . . . 41.12 108.012 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -61.36 142.63 56.79 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 127.779 3.174 . . . . 26.87 110.262 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -126.39 -145.04 6.25 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-N 112.451 -2.159 . . . . 21.44 109.063 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -96.54 113.26 24.81 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-N 111.969 -2.115 . . . . 16.86 111.758 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.72 77.04 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 127.214 2.821 . . . . 14.55 110.724 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.914 ' HG3' ' O1 ' ' A' ' 117' ' ' SO4 . 85.3 mttt -65.08 -45.78 83.84 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 123.196 1.474 . . . . 24.67 110.443 -177.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -61.32 -45.69 93.39 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 112.97 -1.923 . . . . 26.82 108.336 179.002 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.13 -37.92 94.73 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 110.033 -1.227 . . . . 9.8 110.033 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.11 84.66 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 114.407 -2.711 . . . . 9.85 108.252 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 p -75.72 -28.15 58.44 Favored 'General case' 0 C--N 1.307 -1.249 1 O-C-N 129.297 4.123 . . . . 12.76 111.804 -175.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.08 -46.05 89.21 Favored 'General case' 0 CA--C 1.57 1.725 0 C-N-CA 114.817 -2.753 . . . . 10.6 107.193 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 58.2 t80 -56.37 -50.36 71.79 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 111.859 -2.428 . . . . 11.82 110.434 -176.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -54.8 -52.6 62.16 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.81 -1.182 . . . . 32.33 107.81 -179.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 p -74.73 -24.31 58.7 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 116.183 1.92 . . . . 21.29 116.183 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -122.01 -20.22 6.38 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 122.284 2.311 . . . . 40.58 115.474 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 20.0 m -119.25 -21.34 7.59 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 116.733 2.123 . . . . 5.94 116.733 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.41 -34.16 76.19 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 115.673 -2.108 . . . . 6.4 112.985 -173.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' ' 191' ' ' HOH . 32.1 tt0 -51.93 -33.9 39.34 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 128.382 3.551 . . . . 13.4 110.337 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.7 m -122.13 0.29 9.57 Favored 'General case' 0 C--O 1.274 2.356 0 C-N-CA 114.364 -2.934 . . . . 8.9 118.225 -176.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.0 160.57 40.62 Favored 'General case' 0 C--O 1.267 1.981 0 CA-C-O 125.054 2.359 . . . . 4.44 115.194 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.4 p -122.09 158.61 28.87 Favored 'General case' 0 C--O 1.256 1.419 0 C-N-CA 129.459 3.104 . . . . 6.39 105.591 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 20.1 m -127.31 -14.56 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-O 125.076 2.369 . . . . 12.73 110.87 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 216' ' ' HOH . 20.7 pm0 -74.24 148.2 41.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 127.165 3.364 . . . . 29.82 112.484 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -63.06 121.78 14.44 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 111.623 -2.535 . . . . 26.93 104.45 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.02 9.93 69.96 Favored Glycine 0 C--O 1.275 2.696 0 CA-C-N 121.095 1.771 . . . . 14.72 113.736 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.64 151.39 21.27 Favored Glycine 0 CA--C 1.562 3.004 1 N-CA-C 102.63 -4.188 . . . . 11.96 102.63 178.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -85.77 164.98 10.43 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 N-CA-C 115.834 1.436 . . . . 7.99 115.834 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 23.0 m-70 -75.8 150.27 37.75 Favored 'General case' 0 C--O 1.272 2.271 0 N-CA-C 102.212 -3.255 . . . . 15.38 102.212 175.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 125' ' ' HOH . 31.4 mtmt -129.58 -125.36 0.21 Allowed 'General case' 0 C--O 1.289 3.132 0 N-CA-C 101.486 -3.524 . . . . 17.99 101.486 177.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.428 ' O ' HMD3 ' A' ' 104' ' ' HEM . 27.0 t -64.66 -36.67 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-O 125.92 2.771 . . . . 7.32 108.616 172.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.19 162.05 12.52 Favored Glycine 0 N--CA 1.498 2.827 0 CA-C-N 111.109 -2.769 . . . . 8.55 106.872 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.46 152.34 75.21 Favored 'Trans proline' 0 C--O 1.239 0.548 0 O-C-N 124.571 1.827 . . . . 6.14 112.614 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.0 141.93 58.01 Favored 'General case' 0 N--CA 1.528 3.46 0 N-CA-C 101.945 -3.354 . . . . 6.43 101.945 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.38 4.7 41.72 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 117.201 2.297 . . . . 10.14 117.201 -176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -52.93 137.19 33.11 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.656 -1.609 . . . . 20.85 106.656 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.19 25.55 62.51 Favored Glycine 0 N--CA 1.414 -2.772 0 CA-C-N 110.16 -3.2 . . . . 10.28 115.224 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 tp -62.06 -34.78 65.08 Favored 'Isoleucine or valine' 0 C--O 1.288 3.126 0 CA-C-N 120.217 2.008 . . . . 12.66 115.661 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -70.05 126.37 29.49 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.813 -1.179 . . . . 23.06 109.635 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.34 -16.07 62.01 Favored Glycine 0 C--O 1.263 1.924 0 CA-C-O 115.542 -2.81 . . . . 20.15 112.683 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.27 11.2 ptt-85 -95.91 160.64 14.37 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 126.696 2.056 . . . . 33.19 109.61 179.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CE1' HD23 ' A' ' 58' ' ' LEU . 62.2 m80 -90.43 165.15 13.99 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 103.767 -2.679 . . . . 21.24 103.767 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.5 p -69.77 152.52 44.52 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 125.872 2.748 . . . . 13.67 109.939 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 65.57 26.8 72.06 Favored Glycine 0 C--O 1.267 2.184 0 C-N-CA 128.955 3.169 . . . . 12.98 115.926 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -111.22 10.57 21.78 Favored 'General case' 0 C--O 1.256 1.444 0 N-CA-C 117.34 2.348 . . . . 26.91 117.34 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.97 129.83 36.68 Favored 'General case' 0 C--O 1.294 3.421 0 N-CA-C 104.873 -2.269 . . . . 18.0 104.873 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -87.03 147.08 25.86 Favored 'General case' 0 N--CA 1.518 2.951 1 C-N-CA 111.482 -4.087 . . . . 37.47 110.826 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.74 6.98 69.32 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 110.266 -3.152 . . . . 14.92 107.439 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 26' ' ' HIS 0.252 52.1 t80 -116.47 133.81 55.58 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 124.518 2.104 . . . . 12.68 111.293 -179.381 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 185' ' ' HOH . 22.9 t -89.44 86.63 6.83 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 112.213 -2.267 . . . . 18.14 114.962 -179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 93.9 m-85 -76.74 165.65 24.45 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 119.206 -2.184 . . . . 11.55 110.795 -178.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' HG2' ' A' ' 79' ' ' LYS . 43.6 p -79.07 163.29 25.24 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.742 -1.948 . . . . 12.59 105.742 176.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -59.14 -40.63 86.11 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 125.872 1.983 . . . . 29.49 107.132 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -58.56 6.82 Favored 'General case' 0 C--O 1.276 2.492 0 N-CA-C 115.47 1.656 . . . . 15.44 115.47 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.01 -50.35 64.39 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 112.606 -2.088 . . . . 20.06 109.139 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.21 -50.96 43.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 116.259 1.948 . . . . 23.26 116.259 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -75.61 -18.98 59.53 Favored 'General case' 0 C--O 1.255 1.389 0 C-N-CA 125.944 1.698 . . . . 37.58 113.867 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 1.095 ' HG3' HG23 ' A' ' 57' ' ' VAL . 19.9 tptt -69.71 -34.39 73.82 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 106.252 -1.758 . . . . 26.37 106.252 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 43.47 49.26 6.25 Favored 'General case' 0 C--N 1.288 -2.07 1 C-N-CA 132.692 4.397 . . . . 27.89 112.208 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.095 HG23 ' HG3' ' A' ' 55' ' ' LYS . 87.1 t -68.49 136.84 25.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.091 0 O-C-N 126.722 2.514 . . . . 27.49 111.592 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 39' ' ' HIS . 2.3 tm? -96.28 114.03 25.68 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 100.312 -3.959 . . . . 26.76 100.312 177.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -77.21 121.12 23.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.162 1.541 . . . . 21.29 115.162 -177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -143.41 157.48 44.42 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 128.211 3.444 . . . . 26.39 106.322 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.541 ' OE1' ' HE2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -41.14 -32.92 0.3 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 125.617 1.823 . . . . 26.7 112.532 -179.952 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -78.6 -47.07 17.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 119.858 3.281 . . . . 29.94 119.858 -175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' HG13 ' A' ' 57' ' ' VAL . 1.2 m-20 -63.33 -49.34 74.33 Favored 'General case' 0 C--N 1.272 -2.787 2 CA-C-O 131.921 5.629 . . . . 30.3 107.894 176.78 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.8 tpp -55.72 -38.77 70.18 Favored 'General case' 0 N--CA 1.483 1.175 1 CA-C-N 106.956 -4.657 . . . . 18.3 109.379 -179.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.5 t -65.12 -43.86 90.58 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 124.309 2.004 . . . . 14.19 110.772 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 127' ' ' HOH . 0.9 OUTLIER -66.95 -45.68 77.04 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 112.059 -2.337 . . . . 37.97 104.946 -179.808 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.0 -51.47 67.62 Favored 'General case' 0 C--O 1.274 2.376 0 O-C-N 126.079 2.112 . . . . 12.99 111.514 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.2 -17.87 59.42 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 116.643 2.09 . . . . 15.51 116.643 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -68.48 -39.27 81.42 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 124.576 1.173 . . . . 20.58 109.529 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -172.62 87.78 0.41 Allowed Pre-proline 0 C--O 1.25 1.117 0 O-C-N 125.911 2.007 . . . . 26.16 107.901 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.25 1.1 Cg_endo -54.11 -44.13 52.08 Favored 'Trans proline' 0 C--O 1.256 1.391 0 CA-C-O 114.23 -2.488 . . . . 12.89 114.999 -176.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.406 HM13 ' HD2' ' A' ' 72' ' ' M3L . . . . . . . . 0 C--O 1.25 1.116 1 O-C-N 129.573 4.295 . . . . 18.3 113.41 -179.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -75.54 -37.84 59.73 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 125.634 1.834 . . . . 24.06 106.113 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -72.64 -44.39 61.96 Favored 'General case' 0 C--O 1.259 1.605 0 CA-C-O 121.859 0.838 . . . . 27.91 112.622 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 mt -127.24 80.66 71.32 Favored Pre-proline 0 N--CA 1.496 1.87 0 CA-C-O 123.682 1.706 . . . . 16.63 110.685 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -58.36 127.37 24.51 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 121.404 1.403 . . . . 14.4 109.933 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.38 -9.76 57.66 Favored Glycine 0 N--CA 1.486 1.978 0 C-N-CA 118.531 -1.795 . . . . 12.33 110.79 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -62.45 142.38 57.92 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 120.455 -1.614 . . . . 12.95 110.269 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 49' ' ' THR . 45.9 pttt -93.13 8.7 39.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 115.149 -2.358 . . . . 14.79 108.586 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.6 ttt -70.56 107.57 3.94 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 128.161 3.413 . . . . 14.0 103.993 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.01 60.17 6.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 128.03 3.332 . . . . 14.86 113.554 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -121.68 133.88 54.96 Favored 'General case' 0 N--CA 1.515 2.805 0 N-CA-C 103.273 -2.862 . . . . 19.11 103.273 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.48 -52.62 47.75 Favored Glycine 0 C--O 1.253 1.338 0 O-C-N 125.22 1.575 . . . . 20.0 111.559 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.18 165.08 10.13 Favored Glycine 0 N--CA 1.483 1.816 0 N-CA-C 107.63 -2.188 . . . . 16.7 107.63 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttm -118.8 100.51 7.44 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 126.807 3.194 . . . . 24.86 107.281 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -76.94 -28.56 55.26 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 118.881 2.919 . . . . 33.58 118.881 -175.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -82.03 125.15 30.48 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.253 -1.017 . . . . 31.55 108.253 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -65.82 -33.79 76.67 Favored 'General case' 0 C--O 1.268 2.049 0 O-C-N 128.134 3.396 . . . . 37.44 108.077 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.605 ' HE2' ' O ' ' A' ' 118' ' ' HOH . 7.2 pttt -63.62 -40.74 97.68 Favored 'General case' 0 C--O 1.264 1.86 0 O-C-N 120.26 -1.525 . . . . 24.22 109.928 179.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -61.73 -45.88 92.05 Favored 'General case' 0 N--CA 1.507 2.379 0 N-CA-C 107.343 -1.355 . . . . 16.19 107.343 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -65.99 -40.59 91.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 125.385 1.678 . . . . 11.85 113.343 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' -2' ' ' LYS . 95.1 m-20 -59.38 -44.41 92.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 115.765 -2.064 . . . . 13.8 107.723 -179.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.516 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 78.2 m-20 -60.25 -47.19 87.03 Favored 'General case' 0 C--O 1.271 2.195 1 O-C-N 130.108 4.63 . . . . 7.89 112.284 179.522 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.8 tp -67.53 -46.25 73.38 Favored 'General case' 0 N--CA 1.528 3.443 0 CA-C-N 114.841 -1.072 . . . . 8.31 112.695 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 99' ' ' LYS . 33.6 mt -63.25 -29.52 47.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 CA-C-N 121.039 1.745 . . . . 8.35 110.505 179.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.9 m -66.85 -40.15 87.82 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 115.922 -1.99 . . . . 15.22 108.667 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -69.23 -50.12 50.15 Favored 'General case' 0 C--O 1.259 1.557 0 O-C-N 126.953 2.658 . . . . 13.39 109.295 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.37 -51.43 69.84 Favored 'General case' 0 N--CA 1.504 2.274 0 CA-C-N 110.147 -3.206 . . . . 21.01 109.532 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.541 ' HE2' ' OE1' ' A' ' 61' ' ' GLU . 2.6 mtmp? -50.55 -29.95 11.91 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 126.127 2.142 . . . . 35.42 111.57 178.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -90.49 -39.64 12.47 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.571 -2.581 . . . . 34.71 115.68 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.44 29.21 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 114.762 -2.542 . . . . 12.4 114.062 -173.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.8 p -93.24 9.26 36.88 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 125.402 1.689 . . . . 19.41 111.821 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.242 0.668 0 CA-C-O 115.563 -2.161 . . . . 40.45 110.791 -179.171 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . 0.914 ' O1 ' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . 0.428 HMD3 ' O ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . 0.605 ' O ' ' HE2' ' A' ' 89' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.692 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . 0.621 ' O ' ' HG3' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_