data_5dol_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5dol _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.718 0.294 . . . . 202.77000000000001 111.062 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.71 -50.3 74.37 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.406 -0.59 . . . . 187.08000000000001 109.406 172.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' A' ' 8' ' ' ASP . 21.5 tptp -60.88 -49.53 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.076 -0.965 . . . . 177.55000000000001 111.142 179.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.33 -26.91 66.93 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.083 0.772 . . . . 163.59999999999999 113.083 -175.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.3 tp -95.43 -46.01 6.87 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.317 0.58 . . . . 150.11000000000001 111.873 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -47.71 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 174.31999999999999 110.862 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' A' ' 4' ' ' LYS . 2.2 m-20 -64.03 -27.46 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 181.90000000000001 111.324 -179.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.3 m -66.34 -49.37 67.18 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.254 0.549 . . . . 110.04000000000001 109.985 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.9 -44.92 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.807 . . . . 111.09 111.526 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pp -67.48 -30.24 48.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.144 -0.622 . . . . 148.93000000000001 110.229 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' NE2' ' A' ' 16' ' ' GLN . 13.4 t-20 -64.41 -41.77 96.43 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.39 0.614 . . . . 127.43000000000001 109.744 175.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 mt -61.73 -46.22 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 98.670000000000002 111.073 174.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -50.58 -55.55 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 180.13 111.133 175.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.28 -39.48 83.06 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 112.662 0.616 . . . . 144.34 112.662 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' OD1' ' A' ' 12' ' ' ASN . 74.6 mt-30 -61.6 -38.59 88.17 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.193 -0.603 . . . . 120.79000000000001 111.622 174.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.42 -44.28 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 107.16 111.062 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.72 -37.73 95.3 Favored Glycine 0 C--O 1.244 0.746 0 CA-C-O 121.651 0.584 . . . . 97.069999999999993 111.932 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -62.04 -49.12 77.27 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.71 -0.745 . . . . 116.04000000000001 110.913 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.87 -47.09 74.68 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.614 -0.721 . . . . 136.56999999999999 111.303 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -58.31 -49.57 76.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 132.22 111.398 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 ttp-105 -54.69 -51.89 64.11 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-O 121.436 0.636 . . . . 157.11000000000001 112.069 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.97 -37.93 75.12 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.223 -0.898 . . . . 142.22 112.847 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.3 tp -70.85 -29.2 65.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.738 . . . . 118.56999999999999 109.757 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.99 79.07 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 110.666 -0.974 . . . . 119.23 110.666 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -56.07 -51.95 66.03 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-O 121.526 0.679 . . . . 186.19999999999999 110.618 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -50.25 -45.28 54.0 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.764 -1.107 . . . . 108.72 111.782 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -59.77 -43.57 94.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.112 0.482 . . . . 102.97 110.492 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.37 -53.83 53.72 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.695 -0.684 . . . . 192.06999999999999 112.088 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -64.18 -34.2 77.53 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.407 0.623 . . . . 150.84 112.063 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.5 mt -64.2 -42.23 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.571 -0.741 . . . . 116.11 109.714 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.1 -49.99 72.6 Favored Glycine 0 C--O 1.24 0.469 0 CA-C-N 115.911 -0.586 . . . . 84.150000000000006 111.639 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.89 -45.2 74.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.987 0.423 . . . . 178.93000000000001 111.596 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 52.5 ttm -63.14 -35.52 80.57 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.3 0.481 . . . . 187.83000000000001 112.3 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.96 -46.67 84.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 120.725 0.297 . . . . 119.29000000000001 110.882 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.87 -40.46 95.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 120.302 -0.559 . . . . 96.849999999999994 109.999 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.14 -51.31 66.85 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.688 -0.687 . . . . 96.390000000000001 109.837 177.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.32 -52.0 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.761 -1.109 . . . . 115.13 112.523 174.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -52.54 -55.28 23.29 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.854 -0.612 . . . . 128.33000000000001 111.774 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -61.09 -38.04 84.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.787 -0.642 . . . . 113.86 110.576 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.57 -39.24 93.04 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.117 -0.492 . . . . 97.609999999999999 111.639 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.86 -44.89 84.08 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 120.783 -0.367 . . . . 169.22 110.335 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.83 -46.34 90.95 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.299 0.851 . . . . 107.63 113.299 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.44 -43.97 89.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.557 -0.747 . . . . 150.62 110.253 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.06 -48.94 79.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 141.43000000000001 111.198 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -51.64 -51.11 58.36 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.302 0.376 . . . . 115.18000000000001 111.365 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -37.54 86.65 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 118.75 -1.18 . . . . 117.98 112.942 -176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.2 -36.64 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.067 -0.716 . . . . 113.58 109.067 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -60.83 -52.87 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 159.81 111.118 174.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -57.48 -41.89 81.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.951 0.405 . . . . 149.71000000000001 111.064 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 2.1 tpm_? -61.78 -46.27 90.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 135.49000000000001 110.642 179.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.06 -38.62 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 117.66 111.582 179.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -47.8 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 211.72 110.474 177.846 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -61.92 -44.82 96.0 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.963 -0.562 . . . . 161.25 112.08 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -70.33 -30.9 67.98 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.305 -0.407 . . . . 169.93000000000001 110.187 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 m -67.89 -42.79 80.63 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.304 -0.407 . . . . 154.37 110.552 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.51 -40.49 95.72 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.652 -0.419 . . . . 166.06 110.392 175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . 0.636 ' NE2' ' O ' ' A' ' 101' ' ' HOH . 0.5 OUTLIER -57.08 -43.37 82.08 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.082 -0.508 . . . . 236.25 111.681 175.978 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 mt -69.8 -35.15 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.559 -0.456 . . . . 181.88 110.767 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.62 -29.58 70.8 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.326 -0.25 . . . . 172.65000000000001 110.326 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -68.21 -62.63 1.31 Allowed 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.514 -0.55 . . . . 200.22999999999999 109.514 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.405 -0.361 . . . . 228.30000000000001 111.95 174.441 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mmm . . . . . 0 C--O 1.233 0.186 0 N-CA-C 111.634 0.235 . . . . 206.06 111.634 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.32 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 220.53 110.503 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -122.4 -103.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.805 0.669 . . . . 210.94999999999999 112.805 -174.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -75.8 -10.51 59.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.779 1.029 . . . . 201.19 113.779 -170.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -59.76 -44.21 93.97 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.352 0.596 . . . . 208.63999999999999 110.501 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -37.55 87.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.353 -0.84 . . . . 137.72999999999999 110.954 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.57 -44.31 97.27 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 116.017 -0.538 . . . . 143.36000000000001 110.9 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.08 -30.16 71.1 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.691 -0.686 . . . . 134.46000000000001 109.999 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 52.7 m -63.92 -46.15 86.09 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.217 -0.447 . . . . 157.13999999999999 110.303 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.13 -48.45 82.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-N 116.281 -0.418 . . . . 122.45999999999999 111.486 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.22 -40.62 78.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 121.315 0.578 . . . . 144.63 111.698 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -61.16 -41.81 97.44 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.782 -0.645 . . . . 154.47 110.621 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -50.4 73.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.894 -0.594 . . . . 110.7 111.618 176.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.39 -36.42 75.76 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.902 -0.59 . . . . 154.18000000000001 110.561 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.29 -40.05 89.77 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.777 -0.369 . . . . 107.03 111.401 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -65.75 -41.65 91.86 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.5 0.555 . . . . 121.73 112.5 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.24 -46.45 90.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 CA-C-O 121.237 0.542 . . . . 101.91 110.763 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.06 -44.45 50.93 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 114.837 -1.074 . . . . 99.120000000000005 110.972 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -60.75 -52.22 66.04 Favored 'General case' 0 C--O 1.257 1.478 0 CA-C-O 121.513 0.673 . . . . 116.65000000000001 112.343 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -47.22 -42.49 20.3 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.014 -0.994 . . . . 108.67 111.801 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.06 -55.03 26.96 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 113.014 0.746 . . . . 111.41 113.014 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -59.7 -46.7 88.28 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 115.667 -0.697 . . . . 144.38999999999999 111.047 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.72 -37.92 77.2 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.878 -0.601 . . . . 114.2 111.897 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.43 -37.61 88.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.455 -0.793 . . . . 130.36000000000001 109.788 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -49.94 70.9 Favored Glycine 0 C--O 1.251 1.17 0 C-N-CA 120.493 -0.86 . . . . 102.34999999999999 113.512 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.19 -43.73 95.66 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 120.235 -0.586 . . . . 178.12 110.772 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.9 tp -52.46 -49.17 65.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.148 -0.933 . . . . 131.59999999999999 110.194 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -53.83 -46.22 71.12 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 121.174 0.511 . . . . 128.96000000000001 111.659 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -57.59 -52.89 63.57 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.595 -0.729 . . . . 172.94 112.537 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.59 -37.22 80.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.884 -0.598 . . . . 149.25 111.478 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.83 -52.11 65.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.082 -0.508 . . . . 118.88 110.694 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -45.16 72.62 Favored Glycine 0 C--O 1.247 0.935 0 C-N-CA 120.838 -0.696 . . . . 111.76000000000001 111.74 176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -54.13 -52.49 60.91 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.869 -0.332 . . . . 168.08000000000001 111.841 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 44.4 ttm -59.15 -33.37 70.83 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.639 0.607 . . . . 183.66999999999999 112.639 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.31 -46.03 84.71 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-O 121.159 0.504 . . . . 102.98999999999999 110.97 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.54 -47.39 84.37 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.488 -0.778 . . . . 186.13999999999999 110.042 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.44 -46.96 73.36 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.019 -0.537 . . . . 164.97999999999999 111.052 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.01 -44.17 91.64 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.687 0.625 . . . . 122.81 112.687 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -61.98 -46.31 89.82 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 120.317 -0.553 . . . . 125.27 111.28 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -56.81 -52.31 65.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.929 -0.578 . . . . 177.90000000000001 110.495 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.89 -42.28 71.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 101.18000000000001 112.162 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -58.0 -61.0 2.86 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 120.912 -0.315 . . . . 183.84 111.656 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.52 -37.54 86.45 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.022 -1.071 . . . . 175.86000000000001 111.597 -176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -56.55 -49.13 75.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.562 -0.744 . . . . 161.44999999999999 111.284 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -67.73 -32.74 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 112.18000000000001 111.879 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.15 -52.37 66.0 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.481 0.658 . . . . 127.72 111.126 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -64.59 -35.58 81.44 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.495 -0.775 . . . . 199.02000000000001 112.024 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.2 -37.54 83.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 131.47999999999999 110.062 175.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -70.42 -32.6 70.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 139.02000000000001 111.028 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.22 -61.99 2.08 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.415 -0.514 . . . . 178.27000000000001 110.502 172.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -56.62 -37.71 71.07 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.654 -0.703 . . . . 175.75999999999999 111.935 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -43.03 95.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 145.12 110.454 179.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.46 -48.41 81.25 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.947 -0.57 . . . . 152.33000000000001 110.502 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -62.13 -45.88 91.48 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.035 -0.529 . . . . 175.09999999999999 112.216 -179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -70.28 -30.78 67.89 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.555 -0.293 . . . . 167.41999999999999 111.298 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.5 p -72.13 -31.43 66.0 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.231 -0.588 . . . . 159.13999999999999 109.725 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.95 -30.8 69.32 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.782 -0.367 . . . . 202.06 110.843 173.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -72.56 -48.8 37.2 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.981 0.363 . . . . 191.40000000000001 111.981 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.79 -45.3 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 112.038 0.385 . . . . 222.69999999999999 112.038 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.65 7.66 1.4 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.641 0.608 . . . . 249.41999999999999 112.641 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -115.7 3.8 13.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.106 -1.072 . . . . 232.09 108.106 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.463 0.223 0 CA-C-N 115.337 -0.847 . . . . 198.36000000000001 111.427 177.686 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.636 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.718 0.294 . . . . 202.77000000000001 111.062 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.71 -50.3 74.37 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.406 -0.59 . . . . 187.08000000000001 109.406 172.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -60.88 -49.53 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.076 -0.965 . . . . 177.55000000000001 111.142 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.33 -26.91 66.93 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.083 0.772 . . . . 163.59999999999999 113.083 -175.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.3 tp -95.43 -46.01 6.87 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.317 0.58 . . . . 150.11000000000001 111.873 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -47.71 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 174.31999999999999 110.862 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.03 -27.46 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 181.90000000000001 111.324 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.3 m -66.34 -49.37 67.18 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.254 0.549 . . . . 110.04000000000001 109.985 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG11 ' HB2' ' B' ' 28' ' ' LYS . 47.9 t -60.9 -44.92 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.807 . . . . 111.09 111.526 179.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pp -67.48 -30.24 48.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.144 -0.622 . . . . 148.93000000000001 110.229 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' NE2' ' A' ' 16' ' ' GLN . 13.4 t-20 -64.41 -41.77 96.43 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.39 0.614 . . . . 127.43000000000001 109.744 175.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' B' ' 24' ' ' LEU . 46.3 mt -61.73 -46.22 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 98.670000000000002 111.073 174.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -50.58 -55.55 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 180.13 111.133 175.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.28 -39.48 83.06 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 112.662 0.616 . . . . 144.34 112.662 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' OD1' ' A' ' 12' ' ' ASN . 74.6 mt-30 -61.6 -38.59 88.17 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.193 -0.603 . . . . 120.79000000000001 111.622 174.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.42 -44.28 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 107.16 111.062 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.72 -37.73 95.3 Favored Glycine 0 C--O 1.244 0.746 0 CA-C-O 121.651 0.584 . . . . 97.069999999999993 111.932 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -62.04 -49.12 77.27 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.71 -0.745 . . . . 116.04000000000001 110.913 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.87 -47.09 74.68 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.614 -0.721 . . . . 136.56999999999999 111.303 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -58.31 -49.57 76.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 132.22 111.398 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 ttp-105 -54.69 -51.89 64.11 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-O 121.436 0.636 . . . . 157.11000000000001 112.069 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.97 -37.93 75.12 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.223 -0.898 . . . . 142.22 112.847 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' B' ' 13' ' ' LEU . 52.3 tp -70.85 -29.2 65.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.738 . . . . 118.56999999999999 109.757 179.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.99 79.07 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 110.666 -0.974 . . . . 119.23 110.666 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -56.07 -51.95 66.03 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-O 121.526 0.679 . . . . 186.19999999999999 110.618 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -50.25 -45.28 54.0 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.764 -1.107 . . . . 108.72 111.782 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -59.77 -43.57 94.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.112 0.482 . . . . 102.97 110.492 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.37 -53.83 53.72 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.695 -0.684 . . . . 192.06999999999999 112.088 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -64.18 -34.2 77.53 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.407 0.623 . . . . 150.84 112.063 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.5 mt -64.2 -42.23 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.571 -0.741 . . . . 116.11 109.714 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.1 -49.99 72.6 Favored Glycine 0 C--O 1.24 0.469 0 CA-C-N 115.911 -0.586 . . . . 84.150000000000006 111.639 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.89 -45.2 74.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.987 0.423 . . . . 178.93000000000001 111.596 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 52.5 ttm -63.14 -35.52 80.57 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.3 0.481 . . . . 187.83000000000001 112.3 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.96 -46.67 84.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 120.725 0.297 . . . . 119.29000000000001 110.882 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.87 -40.46 95.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 120.302 -0.559 . . . . 96.849999999999994 109.999 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.14 -51.31 66.85 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.688 -0.687 . . . . 96.390000000000001 109.837 177.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.32 -52.0 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.761 -1.109 . . . . 115.13 112.523 174.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -52.54 -55.28 23.29 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.854 -0.612 . . . . 128.33000000000001 111.774 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -61.09 -38.04 84.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.787 -0.642 . . . . 113.86 110.576 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.57 -39.24 93.04 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.117 -0.492 . . . . 97.609999999999999 111.639 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.86 -44.89 84.08 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 120.783 -0.367 . . . . 169.22 110.335 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.83 -46.34 90.95 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.299 0.851 . . . . 107.63 113.299 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.44 -43.97 89.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.557 -0.747 . . . . 150.62 110.253 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.06 -48.94 79.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 141.43000000000001 111.198 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -51.64 -51.11 58.36 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.302 0.376 . . . . 115.18000000000001 111.365 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -37.54 86.65 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 118.75 -1.18 . . . . 117.98 112.942 -176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.2 -36.64 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.067 -0.716 . . . . 113.58 109.067 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -60.83 -52.87 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 159.81 111.118 174.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -57.48 -41.89 81.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.951 0.405 . . . . 149.71000000000001 111.064 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 2.1 tpm_? -61.78 -46.27 90.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 135.49000000000001 110.642 179.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 55' ' ' THR . 0.3 OUTLIER -63.06 -38.62 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 117.66 111.582 179.015 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -47.8 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 211.72 110.474 177.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -61.92 -44.82 96.0 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.963 -0.562 . . . . 161.25 112.08 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 52' ' ' LEU . 15.1 t -70.33 -30.9 67.98 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.305 -0.407 . . . . 169.93000000000001 110.187 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 m -67.89 -42.79 80.63 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.304 -0.407 . . . . 154.37 110.552 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.51 -40.49 95.72 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.652 -0.419 . . . . 166.06 110.392 175.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 101' ' ' HOH . 0.5 OUTLIER -57.08 -43.37 82.08 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.082 -0.508 . . . . 236.25 111.681 175.978 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 mt -69.8 -35.15 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.559 -0.456 . . . . 181.88 110.767 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.62 -29.58 70.8 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.326 -0.25 . . . . 172.65000000000001 110.326 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -68.21 -62.63 1.31 Allowed 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.514 -0.55 . . . . 200.22999999999999 109.514 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.405 -0.361 . . . . 228.30000000000001 111.95 174.441 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mmm . . . . . 0 C--O 1.233 0.186 0 N-CA-C 111.634 0.235 . . . . 206.06 111.634 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.32 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 220.53 110.503 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -122.4 -103.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.805 0.669 . . . . 210.94999999999999 112.805 -174.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -75.8 -10.51 59.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.779 1.029 . . . . 201.19 113.779 -170.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -59.76 -44.21 93.97 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.352 0.596 . . . . 208.63999999999999 110.501 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -37.55 87.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.353 -0.84 . . . . 137.72999999999999 110.954 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.57 -44.31 97.27 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 116.017 -0.538 . . . . 143.36000000000001 110.9 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.08 -30.16 71.1 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.691 -0.686 . . . . 134.46000000000001 109.999 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 52.7 m -63.92 -46.15 86.09 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.217 -0.447 . . . . 157.13999999999999 110.303 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.13 -48.45 82.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-N 116.281 -0.418 . . . . 122.45999999999999 111.486 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 68.7 mt -58.22 -40.62 78.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 121.315 0.578 . . . . 144.63 111.698 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . 0.505 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 58.9 t30 -61.16 -41.81 97.44 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.782 -0.645 . . . . 154.47 110.621 176.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . 0.53 ' HB3' HD21 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -59.73 -50.4 73.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.894 -0.594 . . . . 110.7 111.618 176.154 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 5.2 pt-20 -59.39 -36.42 75.76 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.902 -0.59 . . . . 154.18000000000001 110.561 179.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.29 -40.05 89.77 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.777 -0.369 . . . . 107.03 111.401 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 67.1 mt-30 -65.75 -41.65 91.86 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.5 0.555 . . . . 121.73 112.5 178.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.24 -46.45 90.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 CA-C-O 121.237 0.542 . . . . 101.91 110.763 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.06 -44.45 50.93 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 114.837 -1.074 . . . . 99.120000000000005 110.972 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -60.75 -52.22 66.04 Favored 'General case' 0 C--O 1.257 1.478 0 CA-C-O 121.513 0.673 . . . . 116.65000000000001 112.343 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -47.22 -42.49 20.3 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.014 -0.994 . . . . 108.67 111.801 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.06 -55.03 26.96 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 113.014 0.746 . . . . 111.41 113.014 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -59.7 -46.7 88.28 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 115.667 -0.697 . . . . 144.38999999999999 111.047 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.72 -37.92 77.2 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.878 -0.601 . . . . 114.2 111.897 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 13' ' ' LEU . 4.5 tp -64.43 -37.61 88.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.455 -0.793 . . . . 130.36000000000001 109.788 177.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -49.94 70.9 Favored Glycine 0 C--O 1.251 1.17 0 C-N-CA 120.493 -0.86 . . . . 102.34999999999999 113.512 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.19 -43.73 95.66 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 120.235 -0.586 . . . . 178.12 110.772 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.9 tp -52.46 -49.17 65.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.148 -0.933 . . . . 131.59999999999999 110.194 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HB2' HG11 ' A' ' 10' ' ' VAL . 31.9 ttmt -53.83 -46.22 71.12 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 121.174 0.511 . . . . 128.96000000000001 111.659 177.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -57.59 -52.89 63.57 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.595 -0.729 . . . . 172.94 112.537 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.59 -37.22 80.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.884 -0.598 . . . . 149.25 111.478 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.83 -52.11 65.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.082 -0.508 . . . . 118.88 110.694 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -45.16 72.62 Favored Glycine 0 C--O 1.247 0.935 0 C-N-CA 120.838 -0.696 . . . . 111.76000000000001 111.74 176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -54.13 -52.49 60.91 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.869 -0.332 . . . . 168.08000000000001 111.841 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 44.4 ttm -59.15 -33.37 70.83 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.639 0.607 . . . . 183.66999999999999 112.639 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.31 -46.03 84.71 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-O 121.159 0.504 . . . . 102.98999999999999 110.97 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.54 -47.39 84.37 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.488 -0.778 . . . . 186.13999999999999 110.042 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.44 -46.96 73.36 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.019 -0.537 . . . . 164.97999999999999 111.052 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.01 -44.17 91.64 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.687 0.625 . . . . 122.81 112.687 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -61.98 -46.31 89.82 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 120.317 -0.553 . . . . 125.27 111.28 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -56.81 -52.31 65.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.929 -0.578 . . . . 177.90000000000001 110.495 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.89 -42.28 71.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 101.18000000000001 112.162 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -58.0 -61.0 2.86 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 120.912 -0.315 . . . . 183.84 111.656 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.52 -37.54 86.45 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.022 -1.071 . . . . 175.86000000000001 111.597 -176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -56.55 -49.13 75.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.562 -0.744 . . . . 161.44999999999999 111.284 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -67.73 -32.74 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 112.18000000000001 111.879 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.15 -52.37 66.0 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.481 0.658 . . . . 127.72 111.126 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -64.59 -35.58 81.44 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.495 -0.775 . . . . 199.02000000000001 112.024 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.2 -37.54 83.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 131.47999999999999 110.062 175.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -70.42 -32.6 70.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 139.02000000000001 111.028 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.22 -61.99 2.08 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.415 -0.514 . . . . 178.27000000000001 110.502 172.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -56.62 -37.71 71.07 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.654 -0.703 . . . . 175.75999999999999 111.935 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -43.03 95.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 145.12 110.454 179.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.46 -48.41 81.25 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.947 -0.57 . . . . 152.33000000000001 110.502 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -62.13 -45.88 91.48 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.035 -0.529 . . . . 175.09999999999999 112.216 -179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -70.28 -30.78 67.89 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.555 -0.293 . . . . 167.41999999999999 111.298 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.5 p -72.13 -31.43 66.0 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.231 -0.588 . . . . 159.13999999999999 109.725 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.95 -30.8 69.32 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.782 -0.367 . . . . 202.06 110.843 173.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -72.56 -48.8 37.2 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.981 0.363 . . . . 191.40000000000001 111.981 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.79 -45.3 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 112.038 0.385 . . . . 222.69999999999999 112.038 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.65 7.66 1.4 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.641 0.608 . . . . 249.41999999999999 112.641 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -115.7 3.8 13.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.106 -1.072 . . . . 232.09 108.106 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.463 0.223 0 CA-C-N 115.337 -0.847 . . . . 198.36000000000001 111.427 177.686 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.545 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.718 0.294 . . . . 202.77000000000001 111.062 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.71 -50.3 74.37 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.406 -0.59 . . . . 187.08000000000001 109.406 172.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -60.88 -49.53 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.076 -0.965 . . . . 177.55000000000001 111.142 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -60.33 -26.91 66.93 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.083 0.772 . . . . 163.59999999999999 113.083 -175.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.3 tp -95.43 -46.01 6.87 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.317 0.58 . . . . 150.11000000000001 111.873 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -47.71 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 174.31999999999999 110.862 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.03 -27.46 69.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 181.90000000000001 111.324 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.3 m -66.34 -49.37 67.18 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.254 0.549 . . . . 110.04000000000001 109.985 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG11 ' HB2' ' B' ' 28' ' ' LYS . 47.9 t -60.9 -44.92 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.426 -0.807 . . . . 111.09 111.526 179.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pp -67.48 -30.24 48.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.144 -0.622 . . . . 148.93000000000001 110.229 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' NE2' ' A' ' 16' ' ' GLN . 13.4 t-20 -64.41 -41.77 96.43 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.39 0.614 . . . . 127.43000000000001 109.744 175.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' B' ' 24' ' ' LEU . 46.3 mt -61.73 -46.22 90.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 98.670000000000002 111.073 174.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -50.58 -55.55 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 180.13 111.133 175.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.28 -39.48 83.06 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 112.662 0.616 . . . . 144.34 112.662 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' OD1' ' A' ' 12' ' ' ASN . 74.6 mt-30 -61.6 -38.59 88.17 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.193 -0.603 . . . . 120.79000000000001 111.622 174.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.42 -44.28 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 107.16 111.062 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.72 -37.73 95.3 Favored Glycine 0 C--O 1.244 0.746 0 CA-C-O 121.651 0.584 . . . . 97.069999999999993 111.932 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -62.04 -49.12 77.27 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.71 -0.745 . . . . 116.04000000000001 110.913 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.87 -47.09 74.68 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.614 -0.721 . . . . 136.56999999999999 111.303 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -58.31 -49.57 76.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 132.22 111.398 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 ttp-105 -54.69 -51.89 64.11 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-O 121.436 0.636 . . . . 157.11000000000001 112.069 176.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.97 -37.93 75.12 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.223 -0.898 . . . . 142.22 112.847 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' B' ' 13' ' ' LEU . 52.3 tp -70.85 -29.2 65.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.575 -0.738 . . . . 118.56999999999999 109.757 179.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.99 79.07 Favored Glycine 0 C--O 1.246 0.883 0 N-CA-C 110.666 -0.974 . . . . 119.23 110.666 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -56.07 -51.95 66.03 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-O 121.526 0.679 . . . . 186.19999999999999 110.618 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -50.25 -45.28 54.0 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.764 -1.107 . . . . 108.72 111.782 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -59.77 -43.57 94.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.112 0.482 . . . . 102.97 110.492 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.37 -53.83 53.72 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.695 -0.684 . . . . 192.06999999999999 112.088 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -64.18 -34.2 77.53 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.407 0.623 . . . . 150.84 112.063 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.5 mt -64.2 -42.23 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.571 -0.741 . . . . 116.11 109.714 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.1 -49.99 72.6 Favored Glycine 0 C--O 1.24 0.469 0 CA-C-N 115.911 -0.586 . . . . 84.150000000000006 111.639 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.89 -45.2 74.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.987 0.423 . . . . 178.93000000000001 111.596 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 52.5 ttm -63.14 -35.52 80.57 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.3 0.481 . . . . 187.83000000000001 112.3 178.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.96 -46.67 84.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 120.725 0.297 . . . . 119.29000000000001 110.882 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.87 -40.46 95.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 120.302 -0.559 . . . . 96.849999999999994 109.999 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.14 -51.31 66.85 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.688 -0.687 . . . . 96.390000000000001 109.837 177.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.32 -52.0 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.761 -1.109 . . . . 115.13 112.523 174.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -52.54 -55.28 23.29 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 115.854 -0.612 . . . . 128.33000000000001 111.774 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -61.09 -38.04 84.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.787 -0.642 . . . . 113.86 110.576 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.57 -39.24 93.04 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.117 -0.492 . . . . 97.609999999999999 111.639 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.86 -44.89 84.08 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 120.783 -0.367 . . . . 169.22 110.335 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.83 -46.34 90.95 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.299 0.851 . . . . 107.63 113.299 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.44 -43.97 89.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.557 -0.747 . . . . 150.62 110.253 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.06 -48.94 79.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 141.43000000000001 111.198 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -51.64 -51.11 58.36 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.302 0.376 . . . . 115.18000000000001 111.365 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -65.74 -37.54 86.65 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 118.75 -1.18 . . . . 117.98 112.942 -176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.2 -36.64 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.067 -0.716 . . . . 113.58 109.067 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -60.83 -52.87 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 159.81 111.118 174.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -57.48 -41.89 81.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.951 0.405 . . . . 149.71000000000001 111.064 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 2.1 tpm_? -61.78 -46.27 90.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 135.49000000000001 110.642 179.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 55' ' ' THR . 0.3 OUTLIER -63.06 -38.62 91.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 117.66 111.582 179.015 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -47.8 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 211.72 110.474 177.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -61.92 -44.82 96.0 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.963 -0.562 . . . . 161.25 112.08 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 52' ' ' LEU . 15.1 t -70.33 -30.9 67.98 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.305 -0.407 . . . . 169.93000000000001 110.187 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 m -67.89 -42.79 80.63 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.304 -0.407 . . . . 154.37 110.552 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -64.51 -40.49 95.72 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.652 -0.419 . . . . 166.06 110.392 175.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 101' ' ' HOH . 0.5 OUTLIER -57.08 -43.37 82.08 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.082 -0.508 . . . . 236.25 111.681 175.978 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.4 mt -69.8 -35.15 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.559 -0.456 . . . . 181.88 110.767 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.62 -29.58 70.8 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.326 -0.25 . . . . 172.65000000000001 110.326 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -68.21 -62.63 1.31 Allowed 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.514 -0.55 . . . . 200.22999999999999 109.514 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.405 -0.361 . . . . 228.30000000000001 111.95 174.441 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mmm . . . . . 0 C--O 1.233 0.186 0 N-CA-C 111.634 0.235 . . . . 206.06 111.634 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.32 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 220.53 110.503 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -122.4 -103.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.805 0.669 . . . . 210.94999999999999 112.805 -174.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -75.8 -10.51 59.49 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.779 1.029 . . . . 201.19 113.779 -170.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -59.76 -44.21 93.97 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.352 0.596 . . . . 208.63999999999999 110.501 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -37.55 87.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.353 -0.84 . . . . 137.72999999999999 110.954 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.57 -44.31 97.27 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 116.017 -0.538 . . . . 143.36000000000001 110.9 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.08 -30.16 71.1 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.691 -0.686 . . . . 134.46000000000001 109.999 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 52.7 m -63.92 -46.15 86.09 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.217 -0.447 . . . . 157.13999999999999 110.303 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.13 -48.45 82.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-N 116.281 -0.418 . . . . 122.45999999999999 111.486 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 68.7 mt -58.22 -40.62 78.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 121.315 0.578 . . . . 144.63 111.698 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.505 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 58.9 t30 -61.16 -41.81 97.44 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.782 -0.645 . . . . 154.47 110.621 176.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.53 ' HB3' HD21 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -59.73 -50.4 73.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.894 -0.594 . . . . 110.7 111.618 176.154 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 5.2 pt-20 -59.39 -36.42 75.76 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.902 -0.59 . . . . 154.18000000000001 110.561 179.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.29 -40.05 89.77 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.777 -0.369 . . . . 107.03 111.401 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 12' ' ' ASN . 67.1 mt-30 -65.75 -41.65 91.86 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.5 0.555 . . . . 121.73 112.5 178.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.24 -46.45 90.68 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 CA-C-O 121.237 0.542 . . . . 101.91 110.763 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.06 -44.45 50.93 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 114.837 -1.074 . . . . 99.120000000000005 110.972 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -60.75 -52.22 66.04 Favored 'General case' 0 C--O 1.257 1.478 0 CA-C-O 121.513 0.673 . . . . 116.65000000000001 112.343 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -47.22 -42.49 20.3 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.014 -0.994 . . . . 108.67 111.801 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -53.06 -55.03 26.96 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 113.014 0.746 . . . . 111.41 113.014 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -59.7 -46.7 88.28 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 115.667 -0.697 . . . . 144.38999999999999 111.047 -179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.72 -37.92 77.2 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.878 -0.601 . . . . 114.2 111.897 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 13' ' ' LEU . 4.5 tp -64.43 -37.61 88.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.455 -0.793 . . . . 130.36000000000001 109.788 177.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -49.94 70.9 Favored Glycine 0 C--O 1.251 1.17 0 C-N-CA 120.493 -0.86 . . . . 102.34999999999999 113.512 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.19 -43.73 95.66 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 120.235 -0.586 . . . . 178.12 110.772 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.9 tp -52.46 -49.17 65.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.148 -0.933 . . . . 131.59999999999999 110.194 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HB2' HG11 ' A' ' 10' ' ' VAL . 31.9 ttmt -53.83 -46.22 71.12 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 121.174 0.511 . . . . 128.96000000000001 111.659 177.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -57.59 -52.89 63.57 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.595 -0.729 . . . . 172.94 112.537 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.59 -37.22 80.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.884 -0.598 . . . . 149.25 111.478 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.83 -52.11 65.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.082 -0.508 . . . . 118.88 110.694 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -45.16 72.62 Favored Glycine 0 C--O 1.247 0.935 0 C-N-CA 120.838 -0.696 . . . . 111.76000000000001 111.74 176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -54.13 -52.49 60.91 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.869 -0.332 . . . . 168.08000000000001 111.841 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 44.4 ttm -59.15 -33.37 70.83 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.639 0.607 . . . . 183.66999999999999 112.639 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.31 -46.03 84.71 Favored 'Isoleucine or valine' 0 C--O 1.248 0.995 0 CA-C-O 121.159 0.504 . . . . 102.98999999999999 110.97 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.54 -47.39 84.37 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.488 -0.778 . . . . 186.13999999999999 110.042 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.44 -46.96 73.36 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.019 -0.537 . . . . 164.97999999999999 111.052 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.01 -44.17 91.64 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.687 0.625 . . . . 122.81 112.687 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -61.98 -46.31 89.82 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 120.317 -0.553 . . . . 125.27 111.28 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -56.81 -52.31 65.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.929 -0.578 . . . . 177.90000000000001 110.495 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.89 -42.28 71.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 101.18000000000001 112.162 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -58.0 -61.0 2.86 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 120.912 -0.315 . . . . 183.84 111.656 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.52 -37.54 86.45 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.022 -1.071 . . . . 175.86000000000001 111.597 -176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -56.55 -49.13 75.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.562 -0.744 . . . . 161.44999999999999 111.284 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -67.73 -32.74 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 112.18000000000001 111.879 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.15 -52.37 66.0 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.481 0.658 . . . . 127.72 111.126 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -64.59 -35.58 81.44 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.495 -0.775 . . . . 199.02000000000001 112.024 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.2 -37.54 83.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 131.47999999999999 110.062 175.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -70.42 -32.6 70.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 139.02000000000001 111.028 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.22 -61.99 2.08 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.415 -0.514 . . . . 178.27000000000001 110.502 172.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -56.62 -37.71 71.07 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.654 -0.703 . . . . 175.75999999999999 111.935 -178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -43.03 95.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 145.12 110.454 179.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.46 -48.41 81.25 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.947 -0.57 . . . . 152.33000000000001 110.502 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -62.13 -45.88 91.48 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.035 -0.529 . . . . 175.09999999999999 112.216 -179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -70.28 -30.78 67.89 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.555 -0.293 . . . . 167.41999999999999 111.298 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.5 p -72.13 -31.43 66.0 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.231 -0.588 . . . . 159.13999999999999 109.725 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.95 -30.8 69.32 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.782 -0.367 . . . . 202.06 110.843 173.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -72.56 -48.8 37.2 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.981 0.363 . . . . 191.40000000000001 111.981 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.79 -45.3 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 112.038 0.385 . . . . 222.69999999999999 112.038 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -71.65 7.66 1.4 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.641 0.608 . . . . 249.41999999999999 112.641 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -115.7 3.8 13.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.106 -1.072 . . . . 232.09 108.106 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.463 0.223 0 CA-C-N 115.337 -0.847 . . . . 198.36000000000001 111.427 177.686 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.545 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 stop_ save_