data_1b2g_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 1b2g _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 N-CA-C 111.797 -0.521 . . . . 21.89 111.797 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.22 -32.68 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 113.504 0.927 . . . . 19.29 113.504 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.52 -44.9 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.987 0.422 . . . . 19.91 111.182 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -64.74 -36.27 83.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.796 -0.638 . . . . 36.24 110.987 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -87.26 -24.37 24.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 116.995 2.221 . . . . 23.7 116.995 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -119.08 -19.34 8.47 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 117.366 2.358 . . . . 14.52 117.366 -177.699 -74.577 -105.421 62.338 102.731 2.022 104.001 61.799 -158.182 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.5 t -103.0 -60.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.222 0.326 . . . . 17.42 111.506 -179.898 171.755 54.312 98.761 104.159 2.019 103.462 -86.327 -56.948 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -72.69 -16.72 61.68 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.554 0.576 . . . . 24.96 112.554 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.4 p -137.11 167.92 20.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.895 -1.891 . . . . 20.76 105.895 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -68.27 128.48 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 114.678 1.362 . . . . 16.98 114.678 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -74.39 172.36 12.05 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.938 -1.028 . . . . 14.74 112.683 -179.891 -158.182 61.799 62.338 104.001 2.022 102.731 -105.421 -74.577 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -154.07 156.58 37.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.74 -1.208 . . . . 13.83 107.74 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.55 -37.56 86.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 13.74 110.938 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -55.56 -48.76 74.24 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.543 -0.54 . . . . 27.4 109.543 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -63.62 -46.67 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.066 0.765 . . . . 28.46 113.066 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -58.98 -44.85 91.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.169 0.803 . . . . 17.3 113.169 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -64.79 -19.3 65.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 114.837 1.421 . . . . 17.06 114.837 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -67.81 -17.74 64.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.223 -0.658 . . . . 22.89 109.223 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -101.38 0.73 37.52 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 115.494 1.665 . . . . 25.13 115.494 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.5 m -78.88 151.53 31.75 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 105.444 -2.058 . . . . 21.09 105.444 177.381 -64.701 -42.684 -82.937 104.043 2.03 104.357 -58.695 -59.582 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 112.722 0.638 . . . . 30.57 112.722 178.923 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 112.511 0.56 . . . . 23.56 112.511 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -93.4 -13.22 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 114.478 1.288 . . . . 20.15 114.478 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -88.54 68.59 8.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.087 1.143 . . . . 18.38 114.087 -178.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -164.68 -177.8 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.914 -1.039 . . . . 29.45 108.83 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -79.28 119.31 22.17 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.125 -1.805 . . . . 18.52 106.125 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.7 mt -120.01 113.65 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.356 -1.35 . . . . 16.16 107.356 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -126.85 149.14 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.327 0.862 . . . . 16.95 113.327 -178.713 -56.948 -86.327 98.761 103.462 2.019 104.159 54.312 171.755 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.91 -130.84 51.41 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 115.781 1.072 . . . . 13.94 115.781 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -61.06 -26.63 67.77 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 111.932 0.345 . . . . 13.6 111.932 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -66.22 -39.49 89.62 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.932 -0.766 . . . . 12.23 108.932 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 tp -71.12 -44.14 66.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.882 0.373 . . . . 13.38 110.857 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.92 -39.99 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.695 -0.684 . . . . 14.49 109.522 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.75 -45.13 91.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 23.34 110.545 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.51 83.2 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.369 -0.378 . . . . 9.76 110.433 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.93 -40.68 89.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.963 0.411 . . . . 12.12 110.56 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.66 -45.78 92.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 13.7 111.511 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.8 -40.51 75.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.823 1.045 . . . . 14.18 113.823 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.17 -44.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 114.86 1.43 . . . . 14.49 114.86 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -75.56 -29.22 59.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 116.248 1.944 . . . . 16.9 116.248 -177.983 -59.582 -58.695 -82.937 104.357 2.03 104.043 -42.684 -64.701 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.39 -135.78 51.17 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 115.6 1.0 . . . . 23.28 115.6 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.89 -13.56 56.97 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.62 0.97 . . . . 46.4 113.62 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -69.25 -33.1 72.75 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.53 -0.545 . . . . 36.13 109.53 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.71 -175.52 54.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.078 -2.409 . . . . 21.32 107.078 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -163.24 175.66 10.71 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 122.379 -0.483 . . . . 16.62 110.434 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -128.51 131.62 48.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.883 -1.154 . . . . 30.31 107.883 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -110.5 109.15 19.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.098 -0.955 . . . . 23.82 110.468 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.3 m -120.85 89.05 45.07 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 109.139 -0.689 . . . . 31.21 109.139 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -60.83 -46.37 16.74 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 124.369 3.38 . . . . 40.09 115.027 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -93.96 86.35 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.3 -1.37 . . . . 51.88 107.3 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.44 -0.79 . . . . 55.34 111.919 -179.648 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' B' ' 30' ' ' ALA . . . . . . . . 0 N--CA 1.487 2.068 0 N-CA-C 111.797 -0.521 . . . . 21.89 111.797 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.22 -32.68 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 113.504 0.927 . . . . 19.29 113.504 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.663 ' HA ' ' O ' ' B' ' 36' ' ' HOH . 55.3 t -65.52 -44.9 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.987 0.422 . . . . 19.91 111.182 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -64.74 -36.27 83.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.796 -0.638 . . . . 36.24 110.987 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -87.26 -24.37 24.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 116.995 2.221 . . . . 23.7 116.995 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -119.08 -19.34 8.47 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 117.366 2.358 . . . . 14.52 117.366 -177.699 -74.577 -105.421 62.338 102.731 2.022 104.001 61.799 -158.182 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 36' ' ' HOH . 22.5 t -103.0 -60.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.222 0.326 . . . . 17.42 111.506 -179.898 171.755 54.312 98.761 104.159 2.019 103.462 -86.327 -56.948 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -72.69 -16.72 61.68 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.554 0.576 . . . . 24.96 112.554 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.4 p -137.11 167.92 20.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.895 -1.891 . . . . 20.76 105.895 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -68.27 128.48 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 114.678 1.362 . . . . 16.98 114.678 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -74.39 172.36 12.05 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.938 -1.028 . . . . 14.74 112.683 -179.891 -158.182 61.799 62.338 104.001 2.022 102.731 -105.421 -74.577 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -154.07 156.58 37.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.74 -1.208 . . . . 13.83 107.74 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.55 -37.56 86.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 13.74 110.938 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -55.56 -48.76 74.24 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.543 -0.54 . . . . 27.4 109.543 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -63.62 -46.67 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.066 0.765 . . . . 28.46 113.066 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -58.98 -44.85 91.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.169 0.803 . . . . 17.3 113.169 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -64.79 -19.3 65.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 114.837 1.421 . . . . 17.06 114.837 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -67.81 -17.74 64.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.223 -0.658 . . . . 22.89 109.223 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -101.38 0.73 37.52 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 115.494 1.665 . . . . 25.13 115.494 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.5 m -78.88 151.53 31.75 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 105.444 -2.058 . . . . 21.09 105.444 177.381 -64.701 -42.684 -82.937 104.043 2.03 104.357 -58.695 -59.582 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 112.722 0.638 . . . . 30.57 112.722 178.923 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 112.511 0.56 . . . . 23.56 112.511 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -93.4 -13.22 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 114.478 1.288 . . . . 20.15 114.478 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -88.54 68.59 8.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.087 1.143 . . . . 18.38 114.087 -178.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -164.68 -177.8 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.914 -1.039 . . . . 29.45 108.83 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -79.28 119.31 22.17 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.125 -1.805 . . . . 18.52 106.125 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.7 mt -120.01 113.65 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.356 -1.35 . . . . 16.16 107.356 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -126.85 149.14 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.327 0.862 . . . . 16.95 113.327 -178.713 -56.948 -86.327 98.761 103.462 2.019 104.159 54.312 171.755 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.91 -130.84 51.41 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 115.781 1.072 . . . . 13.94 115.781 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -61.06 -26.63 67.77 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 111.932 0.345 . . . . 13.6 111.932 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' B' ' 40' ' ' HOH . 10.7 m170 -66.22 -39.49 89.62 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.932 -0.766 . . . . 12.23 108.932 179.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . 0.759 HD22 ' O ' ' B' ' 36' ' ' HOH . 69.0 tp -71.12 -44.14 66.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.882 0.373 . . . . 13.38 110.857 179.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.92 -39.99 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.695 -0.684 . . . . 14.49 109.522 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.75 -45.13 91.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 23.34 110.545 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.51 83.2 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.369 -0.378 . . . . 9.76 110.433 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.93 -40.68 89.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.963 0.411 . . . . 12.12 110.56 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.66 -45.78 92.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 13.7 111.511 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.8 -40.51 75.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.823 1.045 . . . . 14.18 113.823 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.17 -44.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 114.86 1.43 . . . . 14.49 114.86 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -75.56 -29.22 59.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 116.248 1.944 . . . . 16.9 116.248 -177.983 -59.582 -58.695 -82.937 104.357 2.03 104.043 -42.684 -64.701 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.39 -135.78 51.17 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 115.6 1.0 . . . . 23.28 115.6 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.89 -13.56 56.97 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.62 0.97 . . . . 46.4 113.62 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -69.25 -33.1 72.75 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.53 -0.545 . . . . 36.13 109.53 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.71 -175.52 54.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.078 -2.409 . . . . 21.32 107.078 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -163.24 175.66 10.71 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 122.379 -0.483 . . . . 16.62 110.434 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -128.51 131.62 48.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.883 -1.154 . . . . 30.31 107.883 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -110.5 109.15 19.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.098 -0.955 . . . . 23.82 110.468 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.3 m -120.85 89.05 45.07 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 109.139 -0.689 . . . . 31.21 109.139 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -60.83 -46.37 16.74 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 124.369 3.38 . . . . 40.09 115.027 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -93.96 86.35 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.3 -1.37 . . . . 51.88 107.3 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' HA3' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.44 -0.79 . . . . 55.34 111.919 -179.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . 0.759 ' O ' HD22 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . 0.491 ' O ' ' CD2' ' B' ' 10' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' B' ' 30' ' ' ALA . . . . . . . . 0 N--CA 1.487 2.068 0 N-CA-C 111.797 -0.521 . . . . 21.89 111.797 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.22 -32.68 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 113.504 0.927 . . . . 19.29 113.504 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.663 ' HA ' ' O ' ' B' ' 36' ' ' HOH . 55.3 t -65.52 -44.9 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.987 0.422 . . . . 19.91 111.182 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -64.74 -36.27 83.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.796 -0.638 . . . . 36.24 110.987 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -87.26 -24.37 24.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 116.995 2.221 . . . . 23.7 116.995 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.8 m -119.08 -19.34 8.47 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 117.366 2.358 . . . . 14.52 117.366 -177.699 -74.577 -105.421 62.338 102.731 2.022 104.001 61.799 -158.182 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 36' ' ' HOH . 22.5 t -103.0 -60.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.222 0.326 . . . . 17.42 111.506 -179.898 171.755 54.312 98.761 104.159 2.019 103.462 -86.327 -56.948 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -72.69 -16.72 61.68 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.554 0.576 . . . . 24.96 112.554 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.4 p -137.11 167.92 20.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.895 -1.891 . . . . 20.76 105.895 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -68.27 128.48 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 114.678 1.362 . . . . 16.98 114.678 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -74.39 172.36 12.05 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.938 -1.028 . . . . 14.74 112.683 -179.891 -158.182 61.799 62.338 104.001 2.022 102.731 -105.421 -74.577 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -154.07 156.58 37.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.74 -1.208 . . . . 13.83 107.74 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.55 -37.56 86.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 13.74 110.938 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -55.56 -48.76 74.24 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.543 -0.54 . . . . 27.4 109.543 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -63.62 -46.67 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.066 0.765 . . . . 28.46 113.066 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -58.98 -44.85 91.66 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.169 0.803 . . . . 17.3 113.169 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -64.79 -19.3 65.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 114.837 1.421 . . . . 17.06 114.837 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -67.81 -17.74 64.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.223 -0.658 . . . . 22.89 109.223 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -101.38 0.73 37.52 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 115.494 1.665 . . . . 25.13 115.494 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.5 m -78.88 151.53 31.75 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 105.444 -2.058 . . . . 21.09 105.444 177.381 -64.701 -42.684 -82.937 104.043 2.03 104.357 -58.695 -59.582 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 112.722 0.638 . . . . 30.57 112.722 178.923 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 112.511 0.56 . . . . 23.56 112.511 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -93.4 -13.22 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 114.478 1.288 . . . . 20.15 114.478 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -88.54 68.59 8.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.087 1.143 . . . . 18.38 114.087 -178.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -164.68 -177.8 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.914 -1.039 . . . . 29.45 108.83 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -79.28 119.31 22.17 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.125 -1.805 . . . . 18.52 106.125 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.7 mt -120.01 113.65 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.356 -1.35 . . . . 16.16 107.356 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -126.85 149.14 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.327 0.862 . . . . 16.95 113.327 -178.713 -56.948 -86.327 98.761 103.462 2.019 104.159 54.312 171.755 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.91 -130.84 51.41 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 115.781 1.072 . . . . 13.94 115.781 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -61.06 -26.63 67.77 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 111.932 0.345 . . . . 13.6 111.932 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -66.22 -39.49 89.62 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.932 -0.766 . . . . 12.23 108.932 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.759 HD22 ' O ' ' B' ' 36' ' ' HOH . 69.0 tp -71.12 -44.14 66.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.882 0.373 . . . . 13.38 110.857 179.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.92 -39.99 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.695 -0.684 . . . . 14.49 109.522 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.75 -45.13 91.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 23.34 110.545 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.51 83.2 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.369 -0.378 . . . . 9.76 110.433 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.93 -40.68 89.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.963 0.411 . . . . 12.12 110.56 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.66 -45.78 92.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 13.7 111.511 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.8 -40.51 75.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.823 1.045 . . . . 14.18 113.823 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.17 -44.47 43.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 114.86 1.43 . . . . 14.49 114.86 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -75.56 -29.22 59.3 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 116.248 1.944 . . . . 16.9 116.248 -177.983 -59.582 -58.695 -82.937 104.357 2.03 104.043 -42.684 -64.701 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.39 -135.78 51.17 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 115.6 1.0 . . . . 23.28 115.6 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.89 -13.56 56.97 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.62 0.97 . . . . 46.4 113.62 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -69.25 -33.1 72.75 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.53 -0.545 . . . . 36.13 109.53 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.71 -175.52 54.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.078 -2.409 . . . . 21.32 107.078 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -163.24 175.66 10.71 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 122.379 -0.483 . . . . 16.62 110.434 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -128.51 131.62 48.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.883 -1.154 . . . . 30.31 107.883 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -110.5 109.15 19.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.098 -0.955 . . . . 23.82 110.468 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.3 m -120.85 89.05 45.07 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 109.139 -0.689 . . . . 31.21 109.139 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -60.83 -46.37 16.74 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 124.369 3.38 . . . . 40.09 115.027 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -93.96 86.35 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.3 -1.37 . . . . 51.88 107.3 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' HA3' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-O 118.44 -0.79 . . . . 55.34 111.919 -179.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . 0.759 ' O ' HD22 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_