data_5zx1_residue ############################ # Computer software used # ############################ 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 5zx1 _Structure_validation_residue.Date_analyzed 2019-05-17 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 ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.521 -0.155 0 N-CA-C 109.29 -0.633 . . . . 88.79 109.29 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.39 153.06 79.95 Favored 'Trans proline' 0 C--O 1.239 0.547 0 O-C-N 122.586 0.782 . . . . 74.63 111.587 173.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -34.0 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.617 0.573 . . . . 73.26 112.463 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.27 -24.32 60.43 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.395 -0.922 . . . . 71.34 110.251 -173.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -78.33 -47.22 18.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.496 -0.927 . . . . 90.61 108.496 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.16 -49.69 63.28 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.127 -0.942 . . . . 72.1 111.363 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.84 -43.51 90.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.299 -0.561 . . . . 74.86 110.534 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -62.2 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.097 0.475 . . . . 84.13 111.057 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.92 91.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.2 -0.6 . . . . 67.82 109.529 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.36 62.09 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.069 0.396 . . . . 64.03 112.069 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -52.32 -55.26 22.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.483 -0.487 . . . . 76.58 110.343 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.79 -32.19 63.29 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.141 0.793 . . . . 86.84 113.141 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.94 -42.42 57.73 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.092 -1.043 . . . . 75.33 111.072 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -49.39 -49.38 44.98 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 120.964 -0.295 . . . . 70.57 110.292 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.9 -30.8 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.026 -1.07 . . . . 80.12 111.427 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . 0.941 ' SG ' ' O ' ' A' ' 245' ' ' HOH . 3.0 m -69.07 -41.74 77.15 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 117.91 -1.516 . . . . 87.68 108.528 177.535 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -65.27 -36.99 85.81 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.938 -0.705 . . . . 72.86 109.953 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.07 -42.19 89.73 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.153 -1.019 . . . . 65.63 110.867 175.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -57.98 -53.39 58.72 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.865 0.841 . . . . 85.49 110.825 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 p -62.48 -25.97 68.28 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.449 -0.796 . . . . 68.74 109.813 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.65 -45.05 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 72.47 111.746 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.7 m -60.71 -46.5 90.18 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 120.26 -0.576 . . . . 64.51 112.525 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -62.12 -53.92 48.5 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.184 0.992 . . . . 75.93 109.899 -172.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.62 -42.48 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.68 -1.6 . . . . 65.14 113.36 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.52 -27.31 66.87 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.469 -1.292 . . . . 64.27 110.372 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.13 -28.03 48.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.552 -0.459 . . . . 70.38 112.062 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.3 mtt -63.98 -32.92 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.842 -0.743 . . . . 73.91 110.699 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -85.29 -29.6 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.557 0.947 . . . . 68.38 113.557 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -110.12 -2.49 16.91 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.124 0.488 . . . . 76.19 111.43 -167.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.66 60.28 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.541 -1.424 . . . . 80.65 109.541 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.24 -19.63 26.01 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 116.499 1.36 . . . . 85.38 116.499 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 207' ' ' HOH . 1.3 tptt -96.11 99.74 11.46 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.236 0.518 . . . . 91.24 110.189 -178.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.2 mt -84.06 135.83 34.27 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.442 1.645 . . . . 75.73 115.442 -159.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -67.52 164.04 19.79 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.938 -0.305 . . . . 64.03 110.558 175.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -55.96 -40.29 73.03 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.982 0.42 . . . . 62.86 111.486 175.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.51 -47.67 77.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.844 -0.799 . . . . 71.98 108.844 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -62.88 -38.91 92.77 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.135 -0.626 . . . . 65.16 110.183 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -62.94 -41.83 99.62 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.401 0.619 . . . . 69.45 109.679 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -67.49 -29.16 68.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 63.0 112.343 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.33 -42.68 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.039 -0.665 . . . . 60.16 109.367 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.84 -45.96 83.93 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.003 -0.679 . . . . 66.07 110.013 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -60.6 -40.64 92.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 74.49 111.463 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.34 -41.13 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.329 -0.548 . . . . 65.83 111.668 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.96 -30.94 70.35 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.873 0.368 . . . . 61.77 111.866 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -58.94 -42.57 90.1 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.901 -0.778 . . . . 73.38 108.901 176.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.25 -40.34 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.648 -0.706 . . . . 82.6 111.081 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -57.7 -44.18 85.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.098 -0.334 . . . . 70.47 110.098 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.83 4.22 53.04 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.894 0.702 . . . . 69.12 112.894 -173.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t 48.46 62.37 2.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.966 0.412 . . . . 93.27 110.233 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mp -104.06 125.8 33.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.542 -0.299 . . . . 78.96 111.433 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -62.2 136.06 58.03 Favored 'Trans proline' 0 C--O 1.232 0.209 0 N-CA-C 109.058 -1.17 . . . . 81.54 109.058 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 p -62.03 -29.71 70.46 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.15 -0.62 . . . . 88.17 111.403 -171.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.12 -42.03 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.599 -0.44 . . . . 106.5 110.669 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -70.23 -38.23 75.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.987 -0.685 . . . . 95.52 109.641 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.6 -41.39 79.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 73.82 110.844 -175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.79 -30.95 71.67 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.797 -0.361 . . . . 87.01 110.042 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -52.3 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.174 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.61 -40.1 82.29 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 112.109 0.411 . . . . 91.32 112.109 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.23 -42.91 79.06 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.298 -0.561 . . . . 74.53 110.602 -179.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.99 92.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.853 -0.612 . . . . 75.58 109.91 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.03 97.87 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.195 -0.457 . . . . 83.5 111.922 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.8 73.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.066 -0.654 . . . . 75.94 110.635 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.6 mtt85 -59.75 -32.42 70.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.152 0.501 . . . . 89.16 111.754 -179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -106.89 -4.38 19.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.609 0.596 . . . . 104.31 112.609 -173.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.75 142.43 53.23 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.03 -0.73 . . . . 76.55 109.03 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' O ' ' OG ' ' A' ' 83' ' ' SER . 39.0 t -72.66 -43.32 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 113.989 1.107 . . . . 74.83 113.989 -174.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 tp -59.34 -48.4 81.78 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.543 -0.91 . . . . 71.88 108.543 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.47 -55.57 18.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 120.651 0.263 . . . . 72.4 110.537 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.8 p -62.44 -37.49 86.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 119.934 -0.706 . . . . 74.77 112.546 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 79' ' ' VAL . 3.7 m -62.62 -40.04 95.71 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.425 -0.797 . . . . 76.07 112.545 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.81 -38.88 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 75.25 110.917 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.64 80.75 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.29 -0.964 . . . . 73.56 109.28 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.17 -45.83 72.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.784 -0.644 . . . . 76.02 111.599 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 p -60.04 -30.9 69.49 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.26 0.837 . . . . 79.64 113.26 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.06 13.11 72.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 116.351 1.3 . . . . 75.18 116.351 -173.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.87 -29.85 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.529 0.937 . . . . 73.97 113.529 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.98 -16.16 61.08 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.174 -0.611 . . . . 75.45 111.814 -176.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 205' ' ' HOH . 80.9 mttt -88.58 -1.53 58.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 98.75 112.159 174.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ARG . . . . . 0.797 ' NH2' ' O ' ' A' ' 201' ' ' HOH . 18.9 mtm180 -122.68 22.7 9.75 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.932 1.086 . . . . 77.56 113.932 -172.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -49.22 -29.23 5.42 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.817 1.414 . . . . 73.29 114.817 -166.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -65.12 -29.52 70.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.403 0.52 . . . . 84.57 112.403 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.32 -40.11 64.73 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 111.484 0.179 . . . . 77.95 111.484 177.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.65 -9.73 26.32 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 115.015 1.487 . . . . 75.48 115.015 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 119.183 -1.007 . . . . 84.7 112.502 -179.371 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.797 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.503 ' O ' ' NZ ' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . 0.514 ' O ' ' NE ' ' A' ' 92' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . 0.481 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . 0.941 ' O ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG12 ' HB3' ' A' ' 18' ' ' GLU . 2.4 t . . . . . 0 CA--C 1.521 -0.155 0 N-CA-C 109.29 -0.633 . . . . 88.79 109.29 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.39 153.06 79.95 Favored 'Trans proline' 0 C--O 1.239 0.547 0 O-C-N 122.586 0.782 . . . . 74.63 111.587 173.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -34.0 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.617 0.573 . . . . 73.26 112.463 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.27 -24.32 60.43 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.395 -0.922 . . . . 71.34 110.251 -173.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB3' HG12 ' A' ' 14' ' ' VAL . 13.6 tp10 -78.33 -47.22 18.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.496 -0.927 . . . . 90.61 108.496 -179.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.16 -49.69 63.28 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.127 -0.942 . . . . 72.1 111.363 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.84 -43.51 90.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.299 -0.561 . . . . 74.86 110.534 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -62.2 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.097 0.475 . . . . 84.13 111.057 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.92 91.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.2 -0.6 . . . . 67.82 109.529 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.36 62.09 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.069 0.396 . . . . 64.03 112.069 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' O ' HD12 ' A' ' 28' ' ' LEU . 18.9 tpt180 -52.32 -55.26 22.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.483 -0.487 . . . . 76.58 110.343 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.79 -32.19 63.29 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.141 0.793 . . . . 86.84 113.141 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.94 -42.42 57.73 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.092 -1.043 . . . . 75.33 111.072 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -49.39 -49.38 44.98 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 120.964 -0.295 . . . . 70.57 110.292 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 24' ' ' ARG . 1.5 mp -73.9 -30.8 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.026 -1.07 . . . . 80.12 111.427 -175.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . 0.941 ' SG ' ' O ' ' A' ' 245' ' ' HOH . 3.0 m -69.07 -41.74 77.15 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 117.91 -1.516 . . . . 87.68 108.528 177.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -65.27 -36.99 85.81 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.938 -0.705 . . . . 72.86 109.953 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.07 -42.19 89.73 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.153 -1.019 . . . . 65.63 110.867 175.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -57.98 -53.39 58.72 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.865 0.841 . . . . 85.49 110.825 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 p -62.48 -25.97 68.28 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.449 -0.796 . . . . 68.74 109.813 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD11 ' HG3' ' A' ' 57' ' ' MET . 1.1 mt -68.65 -45.05 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 72.47 111.746 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.7 m -60.71 -46.5 90.18 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 120.26 -0.576 . . . . 64.51 112.525 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 32.8 mtp85 -62.12 -53.92 48.5 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.184 0.992 . . . . 75.93 109.899 -172.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.62 -42.48 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.68 -1.6 . . . . 65.14 113.36 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.52 -27.31 66.87 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.469 -1.292 . . . . 64.27 110.372 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.13 -28.03 48.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.552 -0.459 . . . . 70.38 112.062 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.3 mtt -63.98 -32.92 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.842 -0.743 . . . . 73.91 110.699 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -85.29 -29.6 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.557 0.947 . . . . 68.38 113.557 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -110.12 -2.49 16.91 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.124 0.488 . . . . 76.19 111.43 -167.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.66 60.28 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.541 -1.424 . . . . 80.65 109.541 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.24 -19.63 26.01 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 116.499 1.36 . . . . 85.38 116.499 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.11 99.74 11.46 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.236 0.518 . . . . 91.24 110.189 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.2 mt -84.06 135.83 34.27 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.442 1.645 . . . . 75.73 115.442 -159.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -67.52 164.04 19.79 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.938 -0.305 . . . . 64.03 110.558 175.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 34.6 ttpt -55.96 -40.29 73.03 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.982 0.42 . . . . 62.86 111.486 175.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.51 -47.67 77.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.844 -0.799 . . . . 71.98 108.844 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -62.88 -38.91 92.77 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.135 -0.626 . . . . 65.16 110.183 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -62.94 -41.83 99.62 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.401 0.619 . . . . 69.45 109.679 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 88.9 mtt180 -67.49 -29.16 68.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 63.0 112.343 -179.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.33 -42.68 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.039 -0.665 . . . . 60.16 109.367 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.84 -45.96 83.93 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.003 -0.679 . . . . 66.07 110.013 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -60.6 -40.64 92.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 74.49 111.463 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.34 -41.13 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.329 -0.548 . . . . 65.83 111.668 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' HD11 ' A' ' 34' ' ' LEU . 96.3 mmm -67.96 -30.94 70.35 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.873 0.368 . . . . 61.77 111.866 178.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -58.94 -42.57 90.1 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.901 -0.778 . . . . 73.38 108.901 176.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.25 -40.34 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.648 -0.706 . . . . 82.6 111.081 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -57.7 -44.18 85.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.098 -0.334 . . . . 70.47 110.098 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.83 4.22 53.04 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.894 0.702 . . . . 69.12 112.894 -173.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t 48.46 62.37 2.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.966 0.412 . . . . 93.27 110.233 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mp -104.06 125.8 33.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.542 -0.299 . . . . 78.96 111.433 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -62.2 136.06 58.03 Favored 'Trans proline' 0 C--O 1.232 0.209 0 N-CA-C 109.058 -1.17 . . . . 81.54 109.058 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 41.1 p -62.03 -29.71 70.46 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.15 -0.62 . . . . 88.17 111.403 -171.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.12 -42.03 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.599 -0.44 . . . . 106.5 110.669 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 13.2 tpt180 -70.23 -38.23 75.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.987 -0.685 . . . . 95.52 109.641 176.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.6 -41.39 79.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 73.82 110.844 -175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 65' ' ' THR . 44.8 mt-10 -65.79 -30.95 71.67 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.797 -0.361 . . . . 87.01 110.042 175.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -52.3 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.174 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.61 -40.1 82.29 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 112.109 0.411 . . . . 91.32 112.109 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.23 -42.91 79.06 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.298 -0.561 . . . . 74.53 110.602 -179.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.99 92.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.853 -0.612 . . . . 75.58 109.91 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.03 97.87 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.195 -0.457 . . . . 83.5 111.922 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 36' ' ' ARG . . . -70.55 -35.8 73.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.066 -0.654 . . . . 75.94 110.635 -176.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.6 mtt85 -59.75 -32.42 70.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.152 0.501 . . . . 89.16 111.754 -179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -106.89 -4.38 19.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.609 0.596 . . . . 104.31 112.609 -173.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.75 142.43 53.23 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.03 -0.73 . . . . 76.55 109.03 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.66 -43.32 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 113.989 1.107 . . . . 74.83 113.989 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 84' ' ' VAL . 34.3 tp -59.34 -48.4 81.78 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.543 -0.91 . . . . 71.88 108.543 175.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.47 -55.57 18.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 120.651 0.263 . . . . 72.4 110.537 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.8 p -62.44 -37.49 86.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 119.934 -0.706 . . . . 74.77 112.546 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -62.62 -40.04 95.71 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.425 -0.797 . . . . 76.07 112.545 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 80' ' ' LEU . 91.8 t -66.81 -38.88 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 75.25 110.917 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.64 80.75 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.29 -0.964 . . . . 73.56 109.28 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.17 -45.83 72.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.784 -0.644 . . . . 76.02 111.599 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 p -60.04 -30.9 69.49 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.26 0.837 . . . . 79.64 113.26 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.06 13.11 72.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 116.351 1.3 . . . . 75.18 116.351 -173.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.87 -29.85 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.529 0.937 . . . . 73.97 113.529 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 90' ' ' LEU . 48.4 mt -73.98 -16.16 61.08 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.174 -0.611 . . . . 75.45 111.814 -176.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 205' ' ' HOH . 80.9 mttt -88.58 -1.53 58.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 98.75 112.159 174.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 201' ' ' HOH . 18.9 mtm180 -122.68 22.7 9.75 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.932 1.086 . . . . 77.56 113.932 -172.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -49.22 -29.23 5.42 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.817 1.414 . . . . 73.29 114.817 -166.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -65.12 -29.52 70.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.403 0.52 . . . . 84.57 112.403 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . 0.485 ' OD2' ' HD2' ' A' ' 92' ' ' ARG . 69.0 m-20 -73.32 -40.11 64.73 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 111.484 0.179 . . . . 77.95 111.484 177.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.65 -9.73 26.32 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 115.015 1.487 . . . . 75.48 115.015 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 119.183 -1.007 . . . . 84.7 112.502 -179.371 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.6 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.449 ' O ' ' NZ ' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . 0.941 ' O ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG12 ' HB3' ' A' ' 18' ' ' GLU . 2.4 t . . . . . 0 CA--C 1.521 -0.155 0 N-CA-C 109.29 -0.633 . . . . 88.79 109.29 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.39 153.06 79.95 Favored 'Trans proline' 0 C--O 1.239 0.547 0 O-C-N 122.586 0.782 . . . . 74.63 111.587 173.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -34.0 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.617 0.573 . . . . 73.26 112.463 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.27 -24.32 60.43 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.395 -0.922 . . . . 71.34 110.251 -173.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB3' HG12 ' A' ' 14' ' ' VAL . 13.6 tp10 -78.33 -47.22 18.22 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.496 -0.927 . . . . 90.61 108.496 -179.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.16 -49.69 63.28 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.127 -0.942 . . . . 72.1 111.363 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.84 -43.51 90.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.299 -0.561 . . . . 74.86 110.534 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -62.2 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.097 0.475 . . . . 84.13 111.057 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.92 91.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.2 -0.6 . . . . 67.82 109.529 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.36 62.09 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.069 0.396 . . . . 64.03 112.069 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' O ' HD12 ' A' ' 28' ' ' LEU . 18.9 tpt180 -52.32 -55.26 22.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.483 -0.487 . . . . 76.58 110.343 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.79 -32.19 63.29 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.141 0.793 . . . . 86.84 113.141 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.94 -42.42 57.73 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.092 -1.043 . . . . 75.33 111.072 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -49.39 -49.38 44.98 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 120.964 -0.295 . . . . 70.57 110.292 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 24' ' ' ARG . 1.5 mp -73.9 -30.8 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.026 -1.07 . . . . 80.12 111.427 -175.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.941 ' SG ' ' O ' ' A' ' 245' ' ' HOH . 3.0 m -69.07 -41.74 77.15 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 117.91 -1.516 . . . . 87.68 108.528 177.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -65.27 -36.99 85.81 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.938 -0.705 . . . . 72.86 109.953 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.07 -42.19 89.73 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.153 -1.019 . . . . 65.63 110.867 175.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -57.98 -53.39 58.72 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.865 0.841 . . . . 85.49 110.825 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 p -62.48 -25.97 68.28 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.449 -0.796 . . . . 68.74 109.813 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD11 ' HG3' ' A' ' 57' ' ' MET . 1.1 mt -68.65 -45.05 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 72.47 111.746 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.7 m -60.71 -46.5 90.18 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 120.26 -0.576 . . . . 64.51 112.525 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 32.8 mtp85 -62.12 -53.92 48.5 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.184 0.992 . . . . 75.93 109.899 -172.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.62 -42.48 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.68 -1.6 . . . . 65.14 113.36 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.52 -27.31 66.87 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 118.469 -1.292 . . . . 64.27 110.372 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.9 m -78.13 -28.03 48.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.552 -0.459 . . . . 70.38 112.062 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.3 mtt -63.98 -32.92 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.842 -0.743 . . . . 73.91 110.699 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -85.29 -29.6 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.557 0.947 . . . . 68.38 113.557 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 p -110.12 -2.49 16.91 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.124 0.488 . . . . 76.19 111.43 -167.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.66 60.28 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.541 -1.424 . . . . 80.65 109.541 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.24 -19.63 26.01 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 116.499 1.36 . . . . 85.38 116.499 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.11 99.74 11.46 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.236 0.518 . . . . 91.24 110.189 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 99.2 mt -84.06 135.83 34.27 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.442 1.645 . . . . 75.73 115.442 -159.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -67.52 164.04 19.79 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 120.938 -0.305 . . . . 64.03 110.558 175.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 34.6 ttpt -55.96 -40.29 73.03 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.982 0.42 . . . . 62.86 111.486 175.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.51 -47.67 77.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.844 -0.799 . . . . 71.98 108.844 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -62.88 -38.91 92.77 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.135 -0.626 . . . . 65.16 110.183 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -62.94 -41.83 99.62 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.401 0.619 . . . . 69.45 109.679 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 88.9 mtt180 -67.49 -29.16 68.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 63.0 112.343 -179.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.33 -42.68 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.039 -0.665 . . . . 60.16 109.367 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.84 -45.96 83.93 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.003 -0.679 . . . . 66.07 110.013 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -60.6 -40.64 92.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 74.49 111.463 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -70.34 -41.13 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.329 -0.548 . . . . 65.83 111.668 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' HD11 ' A' ' 34' ' ' LEU . 96.3 mmm -67.96 -30.94 70.35 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.873 0.368 . . . . 61.77 111.866 178.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -58.94 -42.57 90.1 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.901 -0.778 . . . . 73.38 108.901 176.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.25 -40.34 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.648 -0.706 . . . . 82.6 111.081 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -57.7 -44.18 85.71 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 110.098 -0.334 . . . . 70.47 110.098 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.83 4.22 53.04 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.894 0.702 . . . . 69.12 112.894 -173.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t 48.46 62.37 2.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.966 0.412 . . . . 93.27 110.233 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mp -104.06 125.8 33.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.542 -0.299 . . . . 78.96 111.433 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -62.2 136.06 58.03 Favored 'Trans proline' 0 C--O 1.232 0.209 0 N-CA-C 109.058 -1.17 . . . . 81.54 109.058 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 41.1 p -62.03 -29.71 70.46 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.15 -0.62 . . . . 88.17 111.403 -171.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.12 -42.03 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.599 -0.44 . . . . 106.5 110.669 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 13.2 tpt180 -70.23 -38.23 75.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.987 -0.685 . . . . 95.52 109.641 176.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.6 -41.39 79.66 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 73.82 110.844 -175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 65' ' ' THR . 44.8 mt-10 -65.79 -30.95 71.67 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.797 -0.361 . . . . 87.01 110.042 175.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -52.3 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.174 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -58.61 -40.1 82.29 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 112.109 0.411 . . . . 91.32 112.109 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.23 -42.91 79.06 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.298 -0.561 . . . . 74.53 110.602 -179.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.99 92.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.853 -0.612 . . . . 75.58 109.91 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.03 97.87 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.195 -0.457 . . . . 83.5 111.922 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 36' ' ' ARG . . . -70.55 -35.8 73.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.066 -0.654 . . . . 75.94 110.635 -176.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.6 mtt85 -59.75 -32.42 70.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.152 0.501 . . . . 89.16 111.754 -179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -106.89 -4.38 19.25 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.609 0.596 . . . . 104.31 112.609 -173.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.75 142.43 53.23 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.03 -0.73 . . . . 76.55 109.03 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.66 -43.32 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 113.989 1.107 . . . . 74.83 113.989 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 84' ' ' VAL . 34.3 tp -59.34 -48.4 81.78 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.543 -0.91 . . . . 71.88 108.543 175.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.47 -55.57 18.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 120.651 0.263 . . . . 72.4 110.537 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.8 p -62.44 -37.49 86.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 119.934 -0.706 . . . . 74.77 112.546 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -62.62 -40.04 95.71 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.425 -0.797 . . . . 76.07 112.545 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 80' ' ' LEU . 91.8 t -66.81 -38.88 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 75.25 110.917 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.64 80.75 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.29 -0.964 . . . . 73.56 109.28 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.17 -45.83 72.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.784 -0.644 . . . . 76.02 111.599 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 p -60.04 -30.9 69.49 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.26 0.837 . . . . 79.64 113.26 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.06 13.11 72.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 116.351 1.3 . . . . 75.18 116.351 -173.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.87 -29.85 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 113.529 0.937 . . . . 73.97 113.529 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 90' ' ' LEU . 48.4 mt -73.98 -16.16 61.08 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.174 -0.611 . . . . 75.45 111.814 -176.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 205' ' ' HOH . 80.9 mttt -88.58 -1.53 58.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 98.75 112.159 174.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 201' ' ' HOH . 18.9 mtm180 -122.68 22.7 9.75 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.932 1.086 . . . . 77.56 113.932 -172.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -49.22 -29.23 5.42 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.817 1.414 . . . . 73.29 114.817 -166.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -65.12 -29.52 70.38 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.403 0.52 . . . . 84.57 112.403 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.485 ' OD2' ' HD2' ' A' ' 92' ' ' ARG . 69.0 m-20 -73.32 -40.11 64.73 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 111.484 0.179 . . . . 77.95 111.484 177.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.65 -9.73 26.32 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 115.015 1.487 . . . . 75.48 115.015 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 119.183 -1.007 . . . . 84.7 112.502 -179.371 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.6 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.449 ' O ' ' NZ ' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . 0.941 ' O ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_