data_6ver_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 6ver _Structure_validation_residue.Date_analyzed 2020-11-14 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 1.47 0.958 0 N-CA-C 110.699 -0.96 . . . . 19.329999999999998 110.699 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tp -64.1 -35.17 72.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 C-N-CA 120.284 -0.566 . . . . 20.850000000000001 110.699 -173.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.51 -44.61 90.19 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 118.951 -1.1 . . . . 22.91 110.054 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -63.41 -40.12 96.33 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.676 -0.64 . . . . 18.27 110.804 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.65 -36.48 84.38 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.545 -0.722 . . . . 27.129999999999999 111.465 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -92.04 -27.1 18.01 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 114.561 1.319 . . . . 16.079999999999998 114.561 -174.089 -67.059 -64.537 99.214 101.207 2.04 103.314 -153.834 71.07 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.13 -54.62 2.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.825 0.703 . . . . 15.85 110.184 -174.033 174.064 57.503 99.732 105.305 2.032 103.058 -86.501 -53.502 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -70.38 -54.54 12.04 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.664 0.666 . . . . 19.960000000000001 111.232 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -95.09 -160.2 0.77 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.589 0.755 . . . . 21.960000000000001 109.421 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -111.85 137.3 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.091 -1.077 . . . . 23.620000000000001 108.091 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -121.03 157.32 30.25 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 121.331 0.586 . . . . 17.489999999999998 109.57 172.251 71.07 -153.834 99.214 103.314 2.04 101.207 -64.537 -67.059 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 p -82.03 151.71 26.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 118.745 -1.182 . . . . 21.289999999999999 109.174 167.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.91 -26.49 67.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.618 -0.833 . . . . 25.010000000000002 111.804 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.35 -23.37 65.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.573 0.582 . . . . 22.059999999999999 112.573 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.06 -7.79 52.83 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 115.469 1.655 . . . . 29.460000000000001 115.469 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.83 -18.65 28.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 113.183 0.809 . . . . 22.16 113.183 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.49 -30.63 67.17 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.917 0.389 . . . . 31.73 111.808 -174.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.95 -18.49 64.3 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.908 1.077 . . . . 43.200000000000003 113.908 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -100.83 2.87 41.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 113.353 0.872 . . . . 40.969999999999999 113.353 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 CA--C 1.518 -0.255 0 C-N-CA 122.763 0.425 . . . . 34.240000000000002 110.936 178.837 -55.68 -53.694 -77.533 103.93 1.994 100.956 -55.87 -68.116 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 p90 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 119.572 -0.251 . . . . 44.100000000000001 111.351 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.13 118.19 7.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 118.09 -1.444 . . . . 31.550000000000001 107.517 -167.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.37 35.08 20.62 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 119.318 -0.372 . . . . 25.600000000000001 111.621 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -118.76 153.6 34.17 Favored 'General case' 0 C--N 1.371 1.509 0 N-CA-C 115.089 1.515 . . . . 31.32 115.089 176.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -68.21 138.06 55.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.773 0.797 . . . . 21.879999999999999 109.51 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.23 111.39 15.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.962 -1.125 . . . . 22.030000000000001 107.962 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.5 m -136.66 154.86 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.967 0.907 . . . . 20.640000000000001 109.677 -176.806 -53.502 -86.501 99.732 103.058 2.032 105.305 57.503 174.064 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.88 -134.84 49.65 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 118.96 -1.591 . . . . 18.649999999999999 111.734 171.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -56.5 -39.02 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 118.283 -0.865 . . . . 20.649999999999999 112.821 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.19 -40.99 97.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.804 1.184 . . . . 32.229999999999997 111.529 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.39 -43.77 98.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 14.85 110.393 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.79 -46.39 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 121.897 -0.502 . . . . 16.460000000000001 110.504 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -60.31 -42.39 95.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.091 -1.005 . . . . 23.469999999999999 109.999 -178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.78 92.4 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 120.792 -0.363 . . . . 13.67 110.402 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.75 -43.45 88.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 111.842 0.312 . . . . 16.940000000000001 111.842 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -59.94 -39.33 85.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.495 -0.482 . . . . 21.149999999999999 111.091 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.41 -45.89 85.6 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.236 -0.915 . . . . 22.690000000000001 111.646 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.58 -35.2 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 120.614 -0.434 . . . . 19.32 111.474 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -96.19 -12.7 24.27 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.525 0.935 . . . . 21.710000000000001 113.525 -166.953 -68.116 -55.87 -77.533 100.956 1.994 103.93 -53.694 -55.68 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.32 139.39 57.06 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.164 0.893 . . . . 23.23 111.601 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.65 131.51 53.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 123.16 0.584 . . . . 33.369999999999997 110.203 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.067 -0.968 . . . . 29.460000000000001 109.892 177.836 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 110.699 -0.96 . . . . 16.11 110.699 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tp -64.1 -35.17 72.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 C-N-CA 120.284 -0.566 . . . . 17.38 110.699 -173.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 110' ' ' HOH . 8.7 p -66.51 -44.61 90.19 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 118.951 -1.1 . . . . 19.1 110.054 -175.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -63.41 -40.12 96.33 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.676 -0.64 . . . . 16.77 110.804 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.65 -36.48 84.38 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.545 -0.722 . . . . 23.5 111.465 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -92.04 -27.1 18.01 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 114.561 1.319 . . . . 14.59 114.561 -174.089 -67.059 -64.537 99.214 101.207 2.04 103.314 -153.834 71.07 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.13 -54.62 2.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.825 0.703 . . . . 14.63 110.184 -174.033 174.064 57.503 99.732 105.305 2.032 103.058 -86.501 -53.502 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -70.38 -54.54 12.04 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.664 0.666 . . . . 16.63 111.232 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -95.09 -160.2 0.77 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.589 0.755 . . . . 18.3 109.421 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -111.85 137.3 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.091 -1.077 . . . . 19.69 108.091 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -121.03 157.32 30.25 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 121.331 0.586 . . . . 14.58 109.57 172.251 71.07 -153.834 99.214 103.314 2.04 101.207 -64.537 -67.059 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 p -82.03 151.71 26.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 118.745 -1.182 . . . . 17.74 109.174 167.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.91 -26.49 67.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.618 -0.833 . . . . 20.84 111.804 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.35 -23.37 65.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.573 0.582 . . . . 18.55 112.573 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.06 -7.79 52.83 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 115.469 1.655 . . . . 24.55 115.469 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD22 HD21 ' B' ' 15' ' ' LEU . 96.3 mt -87.83 -18.65 28.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 113.183 0.809 . . . . 19.8 113.183 178.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.49 -30.63 67.17 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.917 0.389 . . . . 28.91 111.808 -174.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.95 -18.49 64.3 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.908 1.077 . . . . 36.0 113.908 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -100.83 2.87 41.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 113.353 0.872 . . . . 34.14 113.353 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 CA--C 1.518 -0.255 0 C-N-CA 122.763 0.425 . . . . 34.24 110.936 178.837 -55.68 -53.694 -77.533 103.93 1.994 100.956 -55.87 -68.116 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 p90 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 119.572 -0.251 . . . . 36.75 111.351 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.13 118.19 7.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 118.09 -1.444 . . . . 26.29 107.517 -167.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.37 35.08 20.62 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 119.318 -0.372 . . . . 22.53 111.621 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -118.76 153.6 34.17 Favored 'General case' 0 C--N 1.371 1.509 0 N-CA-C 115.089 1.515 . . . . 26.1 115.089 176.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -68.21 138.06 55.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.773 0.797 . . . . 18.91 109.51 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.23 111.39 15.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.962 -1.125 . . . . 18.36 107.962 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.5 m -136.66 154.86 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.967 0.907 . . . . 17.2 109.677 -176.806 -53.502 -86.501 99.732 103.058 2.032 105.305 57.503 174.064 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.88 -134.84 49.65 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 118.96 -1.591 . . . . 15.54 111.734 171.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -56.5 -39.02 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 118.283 -0.865 . . . . 18.25 112.821 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.19 -40.99 97.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.804 1.184 . . . . 32.23 111.529 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.39 -43.77 98.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 12.37 110.393 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.79 -46.39 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 121.897 -0.502 . . . . 13.72 110.504 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -60.31 -42.39 95.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.091 -1.005 . . . . 23.47 109.999 -178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.78 92.4 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 120.792 -0.363 . . . . 11.39 110.402 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . 0.558 HD21 HD22 ' A' ' 16' ' ' LEU . 30.9 mt -65.75 -43.45 88.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 111.842 0.312 . . . . 15.74 111.842 177.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -59.94 -39.33 85.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.495 -0.482 . . . . 17.62 111.091 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.41 -45.89 85.6 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.236 -0.915 . . . . 18.91 111.646 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.58 -35.2 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 120.614 -0.434 . . . . 16.1 111.474 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -96.19 -12.7 24.27 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.525 0.935 . . . . 21.31 113.525 -166.953 -68.116 -55.87 -77.533 100.956 1.994 103.93 -53.694 -55.68 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.32 139.39 57.06 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.164 0.893 . . . . 19.36 111.601 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.65 131.51 53.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 123.16 0.584 . . . . 33.37 110.203 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.067 -0.968 . . . . 24.55 109.892 177.836 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 0.447 ' O ' HG12 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 110.699 -0.96 . . . . 16.109999999999999 110.699 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tp -64.1 -35.17 72.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 C-N-CA 120.284 -0.566 . . . . 17.379999999999999 110.699 -173.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 110' ' ' HOH . 8.7 p -66.51 -44.61 90.19 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 118.951 -1.1 . . . . 19.100000000000001 110.054 -175.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -63.41 -40.12 96.33 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.676 -0.64 . . . . 16.77 110.804 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.65 -36.48 84.38 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.545 -0.722 . . . . 23.5 111.465 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -92.04 -27.1 18.01 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 114.561 1.319 . . . . 14.59 114.561 -174.089 -67.059 -64.537 99.214 101.207 2.04 103.314 -153.834 71.07 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.13 -54.62 2.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 123.825 0.703 . . . . 14.630000000000001 110.184 -174.033 174.064 57.503 99.732 105.305 2.032 103.058 -86.501 -53.502 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -70.38 -54.54 12.04 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.664 0.666 . . . . 16.629999999999999 111.232 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -95.09 -160.2 0.77 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.589 0.755 . . . . 18.300000000000001 109.421 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -111.85 137.3 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.091 -1.077 . . . . 19.690000000000001 108.091 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -121.03 157.32 30.25 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 121.331 0.586 . . . . 14.58 109.57 172.251 71.07 -153.834 99.214 103.314 2.04 101.207 -64.537 -67.059 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 p -82.03 151.71 26.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 118.745 -1.182 . . . . 17.739999999999998 109.174 167.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.91 -26.49 67.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.618 -0.833 . . . . 20.84 111.804 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.35 -23.37 65.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.573 0.582 . . . . 18.550000000000001 112.573 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.06 -7.79 52.83 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 115.469 1.655 . . . . 24.550000000000001 115.469 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD22 HD21 ' B' ' 15' ' ' LEU . 96.3 mt -87.83 -18.65 28.83 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 113.183 0.809 . . . . 19.800000000000001 113.183 178.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.49 -30.63 67.17 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.917 0.389 . . . . 28.91 111.808 -174.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.95 -18.49 64.3 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.908 1.077 . . . . 36.0 113.908 179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -100.83 2.87 41.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 113.353 0.872 . . . . 34.140000000000001 113.353 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 CA--C 1.518 -0.255 0 C-N-CA 122.763 0.425 . . . . 34.240000000000002 110.936 178.837 -55.68 -53.694 -77.533 103.93 1.994 100.956 -55.87 -68.116 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 p90 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 119.572 -0.251 . . . . 36.75 111.351 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.13 118.19 7.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 118.09 -1.444 . . . . 26.289999999999999 107.517 -167.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 t30 60.37 35.08 20.62 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 119.318 -0.372 . . . . 22.530000000000001 111.621 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -118.76 153.6 34.17 Favored 'General case' 0 C--N 1.371 1.509 0 N-CA-C 115.089 1.515 . . . . 26.100000000000001 115.089 176.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -68.21 138.06 55.29 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.773 0.797 . . . . 18.91 109.51 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.23 111.39 15.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.962 -1.125 . . . . 18.359999999999999 107.962 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.5 m -136.66 154.86 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.967 0.907 . . . . 17.199999999999999 109.677 -176.806 -53.502 -86.501 99.732 103.058 2.032 105.305 57.503 174.064 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.88 -134.84 49.65 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 118.96 -1.591 . . . . 15.539999999999999 111.734 171.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -56.5 -39.02 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 118.283 -0.865 . . . . 18.25 112.821 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.19 -40.99 97.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.804 1.184 . . . . 32.229999999999997 111.529 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.39 -43.77 98.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 12.369999999999999 110.393 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.79 -46.39 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 121.897 -0.502 . . . . 13.720000000000001 110.504 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -60.31 -42.39 95.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.091 -1.005 . . . . 23.469999999999999 109.999 -178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.78 92.4 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 120.792 -0.363 . . . . 11.390000000000001 110.402 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.558 HD21 HD22 ' A' ' 16' ' ' LEU . 30.9 mt -65.75 -43.45 88.92 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 111.842 0.312 . . . . 15.74 111.842 177.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -59.94 -39.33 85.18 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.495 -0.482 . . . . 17.620000000000001 111.091 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.41 -45.89 85.6 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.236 -0.915 . . . . 18.91 111.646 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.58 -35.2 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 120.614 -0.434 . . . . 16.100000000000001 111.474 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -96.19 -12.7 24.27 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.525 0.935 . . . . 21.309999999999999 113.525 -166.953 -68.116 -55.87 -77.533 100.956 1.994 103.93 -53.694 -55.68 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.32 139.39 57.06 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.164 0.893 . . . . 19.359999999999999 111.601 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.65 131.51 53.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 123.16 0.584 . . . . 33.369999999999997 110.203 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.067 -0.968 . . . . 24.550000000000001 109.892 177.836 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.447 ' O ' HG12 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_