data_1hpt_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 1hpt _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 116.143 -1.884 . . . . 63.13 106.203 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -124.83 150.44 46.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 124.622 3.374 . . . . 48.43 106.891 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.6 29.42 6.94 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.627 1.204 . . . . 39.42 111.292 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.31 -161.9 34.87 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.307 -0.717 . . . . 25.5 111.307 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 -121.34 159.11 26.75 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 114.957 1.465 . . . . 10.23 114.957 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.29 135.54 52.08 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 123.02 1.39 . . . . 20.58 111.448 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 127.22 33.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.464 -2.153 . . . . 6.64 107.303 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.12 148.52 22.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 127.215 2.206 . . . . 19.39 110.474 -176.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.96 4.32 49.46 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.21 -0.9 . . . . 5.93 112.159 176.346 -82.389 61.239 -111.972 105.111 2.008 98.952 -105.866 175.321 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 51.9 34.24 13.16 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 118.132 2.641 . . . . 9.62 118.132 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 63.23 22.14 13.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 126.284 1.834 . . . . 30.39 114.936 -177.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -73.58 120.24 18.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.869 0.842 . . . . 24.2 109.37 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -65.79 0.64 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 113.746 -1.57 . . . . 39.39 113.639 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -103.47 -30.86 10.28 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 116.887 2.18 . . . . 50.54 116.887 -173.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.32 177.99 41.04 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.004 -1.638 . . . . 26.55 109.004 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 13.4 m -98.98 162.15 13.23 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 110.433 -2.884 . . . . 9.59 111.059 -175.722 -46.13 -86.77 -82.502 96.704 2.44 110.805 -70.283 173.265 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.5 p -80.02 172.79 13.31 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 124.836 2.255 . . . . 4.03 106.197 172.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.9 38.79 1.4 Allowed 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.081 -1.637 . . . . 4.97 107.56 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -73.31 130.72 40.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.282 -2.118 . . . . 7.48 105.282 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -93.98 105.49 17.5 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.424 -0.954 . . . . 13.76 108.424 177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -147.68 81.83 8.3 Favored Pre-proline 0 C--O 1.239 0.533 0 N-CA-C 103.695 -2.706 . . . . 7.97 103.695 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -65.72 140.41 61.75 Favored 'Trans proline' 0 CA--C 1.512 -0.594 0 C-N-CA 124.999 3.799 . . . . 5.84 115.785 -165.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.38 150.74 32.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 N-CA-C 107.384 -1.339 . . . . 8.72 107.384 172.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 43.0 t -94.33 120.72 34.99 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 113.555 -1.657 . . . . 13.02 107.016 177.354 178.346 52.504 103.505 99.65 2.441 102.888 -51.857 -64.238 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.34 161.29 39.01 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.959 -1.088 . . . . 6.29 112.848 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -71.12 -5.08 28.9 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 117.519 -3.342 . . . . 7.39 112.248 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -85.56 -4.39 59.15 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.169 -1.582 . . . . 7.77 110.009 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.32 1.84 83.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 118.575 -2.578 . . . . 11.02 114.04 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -98.99 139.79 34.11 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 117.974 0.887 . . . . 19.98 112.422 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -81.55 134.25 35.48 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.081 1.896 . . . . 9.4 110.395 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -113.03 133.81 21.94 Favored Pre-proline 0 N--CA 1.446 -0.666 0 N-CA-C 104.431 -2.433 . . . . 7.4 104.431 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -58.75 -25.06 74.35 Favored 'Trans proline' 0 CA--C 1.514 -0.48 0 C-N-CA 123.965 3.11 . . . . 2.97 114.186 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -164.4 153.88 13.76 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 104.767 -2.309 . . . . 3.54 104.767 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -50.72 -40.61 54.7 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 117.372 2.36 . . . . 6.89 117.372 -179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 33.1 t -66.95 -34.26 77.39 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 116.611 -1.662 . . . . 6.16 111.114 -175.666 173.265 -70.283 -82.502 110.805 2.44 96.704 -86.77 -46.13 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -69.62 -26.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.118 0 CA-C-N 122.747 2.522 . . . . 6.04 108.927 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -46.48 66.44 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 106.666 -1.605 . . . . 8.46 106.666 174.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 t -58.04 -49.46 76.81 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.529 1.513 . . . . 8.98 112.232 179.797 175.321 -105.866 -111.972 98.952 2.008 105.111 61.239 -82.389 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.67 -29.88 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 119.932 -1.73 . . . . 10.76 113.296 174.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -66.92 -41.79 86.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.561 -1.337 . . . . 17.51 108.238 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -66.91 -38.31 85.98 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.977 -1.12 . . . . 11.16 107.977 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.63 -39.92 94.55 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 121.378 1.899 . . . . 12.73 114.659 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -77.55 -27.88 51.7 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.416 0.895 . . . . 38.77 113.416 -176.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -107.94 -9.87 15.62 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 115.24 1.57 . . . . 38.41 115.24 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 59.34 48.25 10.33 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 123.603 1.668 . . . . 22.88 111.997 -176.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 p -106.44 176.52 5.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 111.147 -2.752 . . . . 13.67 106.367 177.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 p -142.48 53.89 1.43 Allowed 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 119.444 -2.035 . . . . 22.81 108.321 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.78 129.61 34.14 Favored 'Isoleucine or valine' 0 C--O 1.247 0.954 0 N-CA-C 103.546 -2.761 . . . . 9.08 103.546 175.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.94 179.82 4.16 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.508 -1.37 . . . . 7.23 107.402 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.86 122.28 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 104.607 -2.368 . . . . 8.97 104.607 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -72.11 -45.62 59.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 123.399 1.571 . . . . 32.25 109.533 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -171.1 172.69 5.29 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.253 -2.249 . . . . 20.62 108.982 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.5 m -89.19 161.66 16.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.573 -1.269 . . . . 25.19 107.573 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.02 163.1 32.19 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 106.387 -2.685 . . . . 16.77 106.387 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.52 162.51 8.08 Favored 'Trans proline' 0 C--O 1.244 0.791 0 C-N-CA 122.979 2.453 . . . . 18.38 110.287 167.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 82.9 m . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 100.209 -3.997 . . . . 30.03 100.209 173.585 -64.238 -51.857 103.505 102.888 2.441 99.65 52.504 178.346 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 116.143 -1.884 . . . . 63.13 106.203 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -124.83 150.44 46.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 124.622 3.374 . . . . 48.43 106.891 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.6 29.42 6.94 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.627 1.204 . . . . 39.42 111.292 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.31 -161.9 34.87 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.307 -0.717 . . . . 25.5 111.307 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 -121.34 159.11 26.75 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 114.957 1.465 . . . . 10.23 114.957 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.29 135.54 52.08 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 123.02 1.39 . . . . 20.58 111.448 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 127.22 33.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.464 -2.153 . . . . 6.64 107.303 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 50.7 mmtt -97.12 148.52 22.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 127.215 2.206 . . . . 19.39 110.474 -176.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.96 4.32 49.46 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.21 -0.9 . . . . 5.93 112.159 176.346 -82.389 61.239 -111.972 105.111 2.008 98.952 -105.866 175.321 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 51.9 34.24 13.16 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 118.132 2.641 . . . . 9.62 118.132 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 63.23 22.14 13.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 126.284 1.834 . . . . 30.39 114.936 -177.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -73.58 120.24 18.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.869 0.842 . . . . 24.2 109.37 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -65.79 0.64 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 113.746 -1.57 . . . . 39.39 113.639 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -103.47 -30.86 10.28 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 116.887 2.18 . . . . 50.54 116.887 -173.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.32 177.99 41.04 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.004 -1.638 . . . . 26.55 109.004 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 13.4 m -98.98 162.15 13.23 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 110.433 -2.884 . . . . 9.59 111.059 -175.722 -46.13 -86.77 -82.502 96.704 2.44 110.805 -70.283 173.265 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.5 p -80.02 172.79 13.31 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 124.836 2.255 . . . . 4.03 106.197 172.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.9 38.79 1.4 Allowed 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.081 -1.637 . . . . 4.97 107.56 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -73.31 130.72 40.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.282 -2.118 . . . . 7.48 105.282 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 22' ' ' PRO . 66.0 t80 -93.98 105.49 17.5 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.424 -0.954 . . . . 13.76 108.424 177.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 44.4 ttm-85 -147.68 81.83 8.3 Favored Pre-proline 0 C--O 1.239 0.533 0 N-CA-C 103.695 -2.706 . . . . 7.97 103.695 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 20' ' ' TYR . 4.2 Cg_exo -65.72 140.41 61.75 Favored 'Trans proline' 0 CA--C 1.512 -0.594 0 C-N-CA 124.999 3.799 . . . . 5.84 115.785 -165.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.38 150.74 32.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 N-CA-C 107.384 -1.339 . . . . 8.72 107.384 172.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 43.0 t -94.33 120.72 34.99 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 113.555 -1.657 . . . . 13.02 107.016 177.354 178.346 52.504 103.505 99.65 2.441 102.888 -51.857 -64.238 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.34 161.29 39.01 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.959 -1.088 . . . . 6.29 112.848 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -71.12 -5.08 28.9 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 117.519 -3.342 . . . . 7.39 112.248 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -85.56 -4.39 59.15 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.169 -1.582 . . . . 7.77 110.009 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.32 1.84 83.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 118.575 -2.578 . . . . 11.02 114.04 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -98.99 139.79 34.11 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 117.974 0.887 . . . . 19.98 112.422 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -81.55 134.25 35.48 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.081 1.896 . . . . 9.4 110.395 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -113.03 133.81 21.94 Favored Pre-proline 0 N--CA 1.446 -0.666 0 N-CA-C 104.431 -2.433 . . . . 7.4 104.431 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . 0.682 ' HD2' HG21 ' A' ' 36' ' ' VAL . 33.5 Cg_exo -58.75 -25.06 74.35 Favored 'Trans proline' 0 CA--C 1.514 -0.48 0 C-N-CA 123.965 3.11 . . . . 2.97 114.186 -173.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 21' ' ' ARG . 26.2 p30 -164.4 153.88 13.76 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 104.767 -2.309 . . . . 3.54 104.767 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' HG3' HD11 ' A' ' 50' ' ' ILE . 85.9 tt0 -50.72 -40.61 54.7 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 117.372 2.36 . . . . 6.89 117.372 -179.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 33.1 t -66.95 -34.26 77.39 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 116.611 -1.662 . . . . 6.16 111.114 -175.666 173.265 -70.283 -82.502 110.805 2.44 96.704 -86.77 -46.13 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . 0.682 HG21 ' HD2' ' A' ' 32' ' ' PRO . 16.4 m -69.62 -26.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.118 0 CA-C-N 122.747 2.522 . . . . 6.04 108.927 178.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . 0.619 HD21 ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -69.52 -46.48 66.44 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 106.666 -1.605 . . . . 8.46 106.666 174.935 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 t -58.04 -49.46 76.81 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.529 1.513 . . . . 8.98 112.232 179.797 175.321 -105.866 -111.972 98.952 2.008 105.111 61.239 -82.389 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.67 -29.88 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 119.932 -1.73 . . . . 10.76 113.296 174.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -66.92 -41.79 86.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.561 -1.337 . . . . 17.51 108.238 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -66.91 -38.31 85.98 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.977 -1.12 . . . . 11.16 107.977 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.63 -39.92 94.55 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 121.378 1.899 . . . . 12.73 114.659 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -77.55 -27.88 51.7 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.416 0.895 . . . . 38.77 113.416 -176.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -107.94 -9.87 15.62 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 115.24 1.57 . . . . 38.41 115.24 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 59.34 48.25 10.33 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 123.603 1.668 . . . . 22.88 111.997 -176.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 p -106.44 176.52 5.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 111.147 -2.752 . . . . 13.67 106.367 177.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 p -142.48 53.89 1.43 Allowed 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 119.444 -2.035 . . . . 22.81 108.321 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . 0.619 ' HB ' HD21 ' A' ' 37' ' ' LEU . 21.8 mm -69.78 129.61 34.14 Favored 'Isoleucine or valine' 0 C--O 1.247 0.954 0 N-CA-C 103.546 -2.761 . . . . 9.08 103.546 175.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.94 179.82 4.16 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.508 -1.37 . . . . 7.23 107.402 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . 0.485 HD11 ' HG3' ' A' ' 34' ' ' GLU . 97.3 mt -98.86 122.28 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 104.607 -2.368 . . . . 8.97 104.607 176.065 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -72.11 -45.62 59.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 123.399 1.571 . . . . 32.25 109.533 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -171.1 172.69 5.29 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.253 -2.249 . . . . 20.62 108.982 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.5 m -89.19 161.66 16.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.573 -1.269 . . . . 25.19 107.573 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.02 163.1 32.19 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 106.387 -2.685 . . . . 16.77 106.387 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.52 162.51 8.08 Favored 'Trans proline' 0 C--O 1.244 0.791 0 C-N-CA 122.979 2.453 . . . . 18.38 110.287 167.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 82.9 m . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 100.209 -3.997 . . . . 30.03 100.209 173.585 -64.238 -51.857 103.505 102.888 2.441 99.65 52.504 178.346 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 116.143 -1.884 . . . . 63.13 106.203 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -124.83 150.44 46.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 124.622 3.374 . . . . 48.43 106.891 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.6 29.42 6.94 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.627 1.204 . . . . 39.42 111.292 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.31 -161.9 34.87 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.307 -0.717 . . . . 25.5 111.307 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 -121.34 159.11 26.75 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 114.957 1.465 . . . . 10.23 114.957 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.29 135.54 52.08 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 123.02 1.39 . . . . 20.58 111.448 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 127.22 33.22 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.464 -2.153 . . . . 6.64 107.303 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 50.7 mmtt -97.12 148.52 22.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 127.215 2.206 . . . . 19.39 110.474 -176.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.96 4.32 49.46 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.21 -0.9 . . . . 5.93 112.159 176.346 -82.389 61.239 -111.972 105.111 2.008 98.952 -105.866 175.321 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 51.9 34.24 13.16 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 118.132 2.641 . . . . 9.62 118.132 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 63.23 22.14 13.2 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 126.284 1.834 . . . . 30.39 114.936 -177.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -73.58 120.24 18.9 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 121.869 0.842 . . . . 24.2 109.37 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -65.79 0.64 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 113.746 -1.57 . . . . 39.39 113.639 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -103.47 -30.86 10.28 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 116.887 2.18 . . . . 50.54 116.887 -173.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.32 177.99 41.04 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.004 -1.638 . . . . 26.55 109.004 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 13.4 m -98.98 162.15 13.23 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 110.433 -2.884 . . . . 9.59 111.059 -175.722 -46.13 -86.77 -82.502 96.704 2.44 110.805 -70.283 173.265 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.5 p -80.02 172.79 13.31 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 124.836 2.255 . . . . 4.03 106.197 172.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.9 38.79 1.4 Allowed 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.081 -1.637 . . . . 4.97 107.56 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -73.31 130.72 40.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 105.282 -2.118 . . . . 7.48 105.282 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 22' ' ' PRO . 66.0 t80 -93.98 105.49 17.5 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.424 -0.954 . . . . 13.76 108.424 177.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 44.4 ttm-85 -147.68 81.83 8.3 Favored Pre-proline 0 C--O 1.239 0.533 0 N-CA-C 103.695 -2.706 . . . . 7.97 103.695 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 20' ' ' TYR . 4.2 Cg_exo -65.72 140.41 61.75 Favored 'Trans proline' 0 CA--C 1.512 -0.594 0 C-N-CA 124.999 3.799 . . . . 5.84 115.785 -165.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.38 150.74 32.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.718 0 N-CA-C 107.384 -1.339 . . . . 8.72 107.384 172.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 43.0 t -94.33 120.72 34.99 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 113.555 -1.657 . . . . 13.02 107.016 177.354 178.346 52.504 103.505 99.65 2.441 102.888 -51.857 -64.238 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.34 161.29 39.01 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.959 -1.088 . . . . 6.29 112.848 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -71.12 -5.08 28.9 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 117.519 -3.342 . . . . 7.39 112.248 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -85.56 -4.39 59.15 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.169 -1.582 . . . . 7.77 110.009 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.32 1.84 83.53 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 118.575 -2.578 . . . . 11.02 114.04 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -98.99 139.79 34.11 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 117.974 0.887 . . . . 19.98 112.422 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -81.55 134.25 35.48 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.081 1.896 . . . . 9.4 110.395 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -113.03 133.81 21.94 Favored Pre-proline 0 N--CA 1.446 -0.666 0 N-CA-C 104.431 -2.433 . . . . 7.4 104.431 176.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.682 ' HD2' HG21 ' A' ' 36' ' ' VAL . 33.5 Cg_exo -58.75 -25.06 74.35 Favored 'Trans proline' 0 CA--C 1.514 -0.48 0 C-N-CA 123.965 3.11 . . . . 2.97 114.186 -173.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 21' ' ' ARG . 26.2 p30 -164.4 153.88 13.76 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 104.767 -2.309 . . . . 3.54 104.767 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' HG3' HD11 ' A' ' 50' ' ' ILE . 85.9 tt0 -50.72 -40.61 54.7 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 117.372 2.36 . . . . 6.89 117.372 -179.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.901 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 33.1 t -66.95 -34.26 77.39 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 116.611 -1.662 . . . . 6.16 111.114 -175.666 173.265 -70.283 -82.502 110.805 2.44 96.704 -86.77 -46.13 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.682 HG21 ' HD2' ' A' ' 32' ' ' PRO . 16.4 m -69.62 -26.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.118 0 CA-C-N 122.747 2.522 . . . . 6.04 108.927 178.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.619 HD21 ' HB ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -69.52 -46.48 66.44 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 106.666 -1.605 . . . . 8.46 106.666 174.935 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 t -58.04 -49.46 76.81 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.529 1.513 . . . . 8.98 112.232 179.797 175.321 -105.866 -111.972 98.952 2.008 105.111 61.239 -82.389 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.67 -29.88 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 119.932 -1.73 . . . . 10.76 113.296 174.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -66.92 -41.79 86.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.561 -1.337 . . . . 17.51 108.238 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -66.91 -38.31 85.98 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.977 -1.12 . . . . 11.16 107.977 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.63 -39.92 94.55 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 121.378 1.899 . . . . 12.73 114.659 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -77.55 -27.88 51.7 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.416 0.895 . . . . 38.77 113.416 -176.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -107.94 -9.87 15.62 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 115.24 1.57 . . . . 38.41 115.24 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 59.34 48.25 10.33 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 123.603 1.668 . . . . 22.88 111.997 -176.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 p -106.44 176.52 5.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 111.147 -2.752 . . . . 13.67 106.367 177.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.1 p -142.48 53.89 1.43 Allowed 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 119.444 -2.035 . . . . 22.81 108.321 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.619 ' HB ' HD21 ' A' ' 37' ' ' LEU . 21.8 mm -69.78 129.61 34.14 Favored 'Isoleucine or valine' 0 C--O 1.247 0.954 0 N-CA-C 103.546 -2.761 . . . . 9.08 103.546 175.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.94 179.82 4.16 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.508 -1.37 . . . . 7.23 107.402 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 HD11 ' HG3' ' A' ' 34' ' ' GLU . 97.3 mt -98.86 122.28 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 104.607 -2.368 . . . . 8.97 104.607 176.065 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -72.11 -45.62 59.88 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 123.399 1.571 . . . . 32.25 109.533 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -171.1 172.69 5.29 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.253 -2.249 . . . . 20.62 108.982 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.5 m -89.19 161.66 16.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.573 -1.269 . . . . 25.19 107.573 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.02 163.1 32.19 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 106.387 -2.685 . . . . 16.77 106.387 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.52 162.51 8.08 Favored 'Trans proline' 0 C--O 1.244 0.791 0 C-N-CA 122.979 2.453 . . . . 18.38 110.287 167.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 82.9 m . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 100.209 -3.997 . . . . 30.03 100.209 173.585 -64.238 -51.857 103.505 102.888 2.441 99.65 52.504 178.346 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_