data_7bvm_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 7bvm _Structure_validation_residue.Date_analyzed 2020-11-21 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' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 302' ' ' HOH . 25.6 tttp . . . . . 0 C--O 1.237 0.403 0 N-CA-C 110.371 -0.233 . . . . 49.6 110.371 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.52 106.09 18.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.892 -1.151 . . . . 46.12 107.892 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.01 150.36 47.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.37 0.605 . . . . 46.4 111.431 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.35 160.21 49.3 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 120.504 -0.855 . . . . 45.16 111.894 159.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.52 -59.8 4.81 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.386 -0.479 . . . . 48.52 111.217 -177.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -66.22 -37.74 86.27 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 122.025 -0.422 . . . . 42.09 112.036 179.911 -64.247 -59.188 -69.069 103.703 2.021 104.204 -64.462 -49.801 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -54.61 -48.51 72.13 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.133 0.492 . . . . 51.46 111.516 174.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.09 -43.65 91.41 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.74 -0.384 . . . . 39.06 111.312 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.34 72.51 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 122.077 -0.389 . . . . 34.15 111.585 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.77 80.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.652 0.263 . . . . 40.09 111.476 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.35 94.53 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.845 -0.742 . . . . 35.91 111.561 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.9 mtm -67.57 -42.71 82.13 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.996 -1.082 . . . . 47.42 111.16 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.77 -47.21 85.51 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.598 -0.441 . . . . 52.55 111.147 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -56.45 -35.71 68.21 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 122.222 -0.299 . . . . 67.36 111.748 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -86.72 14.88 6.34 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.9 0.704 . . . . 42.87 112.9 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.56 22.46 56.14 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 116.699 1.44 . . . . 47.01 116.699 171.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.29 -17.18 29.47 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 118.802 1.301 . . . . 43.05 113.927 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.57 119.6 13.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.934 0.788 . . . . 71.68 108.897 -176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 63.59 22.79 13.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.27 1.428 . . . . 59.83 113.373 -176.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -69.14 123.39 20.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 120.679 -1.263 . . . . 45.75 109.223 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 52.79 32.88 12.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.716 0.806 . . . . 69.86 111.957 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.72 2.83 78.2 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 116.541 1.376 . . . . 33.57 116.541 175.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -102.05 112.08 24.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 119.167 1.484 . . . . 34.82 109.945 -174.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -61.75 160.98 10.82 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 122.369 1.08 . . . . 35.17 111.377 179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.92 -35.24 74.46 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.601 -1.181 . . . . 41.49 111.988 -173.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.33 -33.73 58.62 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.333 -0.937 . . . . 31.9 113.564 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -63.97 -46.07 86.29 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.329 -0.512 . . . . 34.68 111.183 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -68.41 -39.29 81.67 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.543 -0.299 . . . . 37.72 111.055 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.4 -42.72 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 119.872 -0.731 . . . . 29.39 110.25 175.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.67 -44.32 93.64 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 122.028 -0.42 . . . . 29.83 111.765 178.973 -175.357 -93.586 -90.184 104.4 2.028 103.265 -80.279 -54.982 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.62 88.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 111.628 0.233 . . . . 32.33 111.628 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -38.81 78.46 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.568 -0.853 . . . . 34.93 111.378 174.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -58.3 -50.04 75.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.838 0.352 . . . . 46.03 111.675 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -88.27 -18.89 27.59 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 118.932 -1.107 . . . . 39.87 112.931 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.47 -38.0 50.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.183 -1.407 . . . . 34.02 111.184 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.4 p -138.96 -2.21 1.71 Allowed 'General case' 0 C--O 1.241 0.655 0 N-CA-C 114.788 1.403 . . . . 32.67 114.788 -167.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t30 54.77 35.48 24.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.101 0.864 . . . . 50.41 110.758 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 68.19 16.85 9.4 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.786 1.235 . . . . 35.59 113.338 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -98.85 117.43 33.32 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 118.813 0.733 . . . . 35.61 109.152 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.8 p -67.51 -17.73 64.78 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.571 -0.852 . . . . 36.73 112.596 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -93.32 5.05 52.87 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.166 0.802 . . . . 35.9 113.166 -174.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 135.7 55.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.883 0.849 . . . . 32.09 112.58 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -137.41 143.07 41.7 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.375 -0.972 . . . . 36.34 108.375 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -142.47 129.76 21.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.21 -0.663 . . . . 64.36 109.21 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -91.25 139.34 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.461 0.476 . . . . 52.67 110.626 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -103.99 160.75 14.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.954 0.883 . . . . 57.96 111.164 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -64.87 -28.53 69.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.226 -0.897 . . . . 74.84 111.983 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -74.15 2.43 9.0 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 118.376 -1.33 . . . . 46.39 112.899 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.6 -8.4 79.86 Favored Glycine 0 C--O 1.243 0.67 0 CA-C-N 119.305 0.957 . . . . 46.37 114.985 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -76.52 164.07 26.3 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.101 0.951 . . . . 34.36 110.107 171.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.1 m -135.48 142.77 45.56 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.774 -0.824 . . . . 36.82 108.774 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -98.99 143.35 29.37 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.782 -0.451 . . . . 44.63 109.782 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -130.74 130.1 43.34 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.558 -0.292 . . . . 37.18 111.135 -167.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.89 -171.41 34.34 Favored Glycine 0 N--CA 1.438 -1.191 0 CA-C-O 123.141 1.412 . . . . 35.93 113.674 161.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 tt -63.8 -23.34 33.1 Favored 'Isoleucine or valine' 0 C--N 1.337 0.064 0 CA-C-N 113.241 -1.479 . . . . 43.23 111.706 -172.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt -117.64 11.2 13.64 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.83 0.678 . . . . 37.97 112.83 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 55.71 52.76 10.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.66 0.784 . . . . 33.4 112.457 166.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.5 mt -81.78 138.52 19.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 CA-C-N 114.907 -1.042 . . . . 37.7 110.59 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -95.08 140.69 29.67 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.937 0.495 . . . . 38.83 112.079 -161.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -79.12 -17.38 55.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 113.933 1.086 . . . . 36.2 113.933 -173.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' NH1' ' O ' ' A' ' 70' ' ' PRO . 7.1 tpp180 -68.03 -38.47 82.58 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.839 -0.744 . . . . 51.22 111.234 177.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -109.24 -38.56 5.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.833 1.42 . . . . 76.16 114.833 -175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -110.03 -31.27 7.43 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.813 1.412 . . . . 39.75 114.813 -154.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -140.11 169.2 18.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.217 -1.031 . . . . 37.98 108.217 179.423 60.297 86.475 97.454 104.692 2.042 104.338 -61.521 -61.325 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -111.1 122.43 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.105 -0.702 . . . . 53.43 109.105 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -117.02 8.43 13.38 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.564 -0.454 . . . . 39.09 112.195 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.23 3.49 65.59 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 115.289 0.876 . . . . 42.75 115.289 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -141.41 21.95 2.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 118.536 1.168 . . . . 46.82 112.796 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -118.8 108.35 41.1 Favored Pre-proline 0 C--O 1.247 0.947 0 N-CA-C 107.562 -1.273 . . . . 57.04 107.562 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 31.2 Cg_exo -72.37 140.61 33.81 Favored 'Trans proline' 0 C--N 1.329 -0.476 0 CA-C-N 119.458 0.842 . . . . 81.68 111.586 -178.256 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 21.37 73.2 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.441 -0.885 . . . . 70.77 113.982 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -78.5 141.56 38.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.684 0.742 . . . . 63.86 110.611 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -99.36 -19.72 16.87 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 113.615 0.968 . . . . 94.09 113.615 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.7 t30 45.71 58.33 4.38 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.238 1.015 . . . . 45.66 112.213 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.77 -29.09 64.12 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.746 -1.182 . . . . 46.9 112.743 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.0 m -82.52 -6.5 59.36 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 118.73 -1.188 . . . . 40.01 112.78 174.489 -65.155 172.337 81.694 104.657 2.039 106.995 50.409 -172.02 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.81 45.54 7.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.782 0.833 . . . . 46.46 111.698 173.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 pt -143.53 152.55 56.95 Favored Pre-proline 0 C--O 1.238 0.497 0 CA-C-N 115.795 -0.638 . . . . 51.97 109.435 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.6 145.66 76.84 Favored 'Trans proline' 0 C--N 1.326 -0.61 0 N-CA-C 110.546 -0.598 . . . . 43.13 110.546 165.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.31 -25.62 67.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.297 -0.865 . . . . 35.84 111.783 -177.808 -61.325 -61.521 97.454 104.338 2.042 104.692 86.475 60.297 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.5 p -65.86 -25.1 67.04 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.187 0.44 . . . . 41.51 112.187 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.41 68.74 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.246 -0.582 . . . . 45.1 111.681 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.3 mt -74.41 -5.16 40.81 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.759 1.022 . . . . 42.57 113.759 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -101.84 -4.74 25.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.024 0.829 . . . . 44.71 112.623 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.1 t -52.87 151.28 4.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.823 0.82 . . . . 43.85 112.547 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.0 p -63.16 -19.72 64.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.718 -0.673 . . . . 51.2 112.011 167.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -90.18 120.49 31.39 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.037 -1.098 . . . . 57.3 108.037 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 pt -87.91 5.88 3.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 112.087 0.403 . . . . 40.84 112.087 -169.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.6 m -57.62 -47.78 81.25 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.596 -0.842 . . . . 40.12 112.163 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.29 94.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.741 -1.184 . . . . 40.37 110.846 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -64.49 -41.63 96.35 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.622 -0.431 . . . . 36.62 110.933 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.3 -41.07 80.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.725 0.298 . . . . 35.8 110.81 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.1 -41.82 99.45 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 119.823 -0.751 . . . . 46.15 110.903 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.6 t -67.18 -43.94 80.92 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 121.071 -0.252 . . . . 35.43 111.208 177.936 -172.02 50.409 81.694 106.995 2.039 104.657 172.337 -65.155 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.63 70.41 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.265 -0.574 . . . . 32.51 111.279 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -61.86 -40.52 95.65 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.707 -0.797 . . . . 46.45 110.585 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -67.02 -39.75 87.09 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.802 -0.759 . . . . 72.43 111.249 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.62 -51.23 70.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.257 -0.577 . . . . 36.8 110.27 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.56 -16.95 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 119.569 -0.853 . . . . 36.11 111.115 -175.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -88.25 -8.35 55.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.231 1.197 . . . . 46.13 114.231 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -86.09 12.57 9.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 119.602 1.092 . . . . 61.73 113.781 -166.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.16 -37.42 3.18 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 116.329 1.292 . . . . 51.81 116.329 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -97.04 7.51 46.49 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.371 1.086 . . . . 79.93 112.817 -177.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 52.41 -141.22 27.13 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.574 -0.822 . . . . 31.86 112.16 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.3 mtp -82.25 -6.63 59.36 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.964 0.727 . . . . 32.77 112.964 -172.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -59.01 -13.82 7.68 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.958 0.725 . . . . 34.71 112.958 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -21.03 61.34 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.995 0.739 . . . . 37.82 112.995 173.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -105.21 112.1 25.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.398 -1.704 . . . . 36.9 106.398 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.34 -39.76 86.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.678 -0.409 . . . . 42.93 110.939 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.07 89.73 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.299 -0.961 . . . . 35.71 111.162 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -61.71 -51.73 67.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.117 -0.633 . . . . 32.05 110.582 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -53.79 -42.8 68.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.589 0.233 . . . . 60.77 111.339 177.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -89.14 -23.92 22.34 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 114.456 1.28 . . . . 38.26 114.456 -172.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -126.34 -9.91 6.36 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 114.767 1.395 . . . . 40.36 114.767 -171.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 58.8 m -118.59 -43.1 2.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.523 1.056 . . . . 31.43 113.85 179.949 -54.982 -80.279 -90.184 103.265 2.028 104.4 -93.586 -175.357 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -53.89 127.28 25.5 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.681 0.392 . . . . 38.11 110.935 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.35 4.9 87.41 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 115.911 1.125 . . . . 45.56 115.911 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.4 p -100.9 174.59 5.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.633 1.216 . . . . 41.66 109.5 176.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -82.6 80.65 8.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.148 0.975 . . . . 63.4 108.684 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.26 -17.39 20.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.518 -0.765 . . . . 45.11 112.661 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -19.3 65.7 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.538 -1.265 . . . . 91.37 111.242 179.758 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.61 -21.96 61.13 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.415 0.524 . . . . 45.31 112.415 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -74.59 -20.05 60.08 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.384 0.883 . . . . 44.06 113.384 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.2 pt -108.0 -0.44 9.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 118.823 0.738 . . . . 52.58 112.451 174.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -64.45 138.94 58.69 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.212 0.53 . . . . 74.97 109.945 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.78 -7.46 69.8 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.836 -0.98 . . . . 47.31 115.228 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.9 m -87.72 146.08 25.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.097 1.449 . . . . 45.09 111.301 179.312 -49.801 -64.462 -69.069 104.204 2.021 103.703 -59.188 -64.247 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -86.31 99.71 11.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.894 -1.15 . . . . 53.64 107.894 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.345 -0.389 . . . . 70.26 111.602 -178.514 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.462 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 tttp . . . . . 0 C--O 1.237 0.403 0 N-CA-C 110.371 -0.233 . . . . 49.6 110.371 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.52 106.09 18.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.892 -1.151 . . . . 46.12 107.892 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.01 150.36 47.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.37 0.605 . . . . 46.4 111.431 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.35 160.21 49.3 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 120.504 -0.855 . . . . 45.16 111.894 159.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.52 -59.8 4.81 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.386 -0.479 . . . . 48.52 111.217 -177.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -66.22 -37.74 86.27 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 122.025 -0.422 . . . . 42.09 112.036 179.911 -64.247 -59.188 -69.069 103.703 2.021 104.204 -64.462 -49.801 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -54.61 -48.51 72.13 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.133 0.492 . . . . 51.46 111.516 174.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.09 -43.65 91.41 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.74 -0.384 . . . . 39.06 111.312 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.34 72.51 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 122.077 -0.389 . . . . 34.15 111.585 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.77 80.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.652 0.263 . . . . 40.09 111.476 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.35 94.53 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.845 -0.742 . . . . 35.91 111.561 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.9 mtm -67.57 -42.71 82.13 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.996 -1.082 . . . . 47.42 111.16 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.77 -47.21 85.51 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.598 -0.441 . . . . 52.55 111.147 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -56.45 -35.71 68.21 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 122.222 -0.299 . . . . 67.36 111.748 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -86.72 14.88 6.34 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.9 0.704 . . . . 42.87 112.9 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.56 22.46 56.14 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 116.699 1.44 . . . . 47.01 116.699 171.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 17' ' ' LEU . 18.8 mt -89.29 -17.18 29.47 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 118.802 1.301 . . . . 43.05 113.927 -176.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.57 119.6 13.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.934 0.788 . . . . 71.68 108.897 -176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 63.59 22.79 13.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.27 1.428 . . . . 59.83 113.373 -176.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -69.14 123.39 20.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 120.679 -1.263 . . . . 45.75 109.223 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 52.79 32.88 12.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.716 0.806 . . . . 69.86 111.957 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.72 2.83 78.2 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 116.541 1.376 . . . . 33.57 116.541 175.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -102.05 112.08 24.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 119.167 1.484 . . . . 34.82 109.945 -174.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -61.75 160.98 10.82 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 122.369 1.08 . . . . 35.17 111.377 179.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.92 -35.24 74.46 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.601 -1.181 . . . . 41.49 111.988 -173.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.33 -33.73 58.62 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.333 -0.937 . . . . 31.9 113.564 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -63.97 -46.07 86.29 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.329 -0.512 . . . . 34.68 111.183 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -68.41 -39.29 81.67 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.543 -0.299 . . . . 37.72 111.055 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.4 -42.72 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 119.872 -0.731 . . . . 29.39 110.25 175.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.67 -44.32 93.64 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 122.028 -0.42 . . . . 29.83 111.765 178.973 -175.357 -93.586 -90.184 104.4 2.028 103.265 -80.279 -54.982 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.62 88.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 111.628 0.233 . . . . 32.33 111.628 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -38.81 78.46 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.568 -0.853 . . . . 34.93 111.378 174.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 50.8 tptt -58.3 -50.04 75.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.838 0.352 . . . . 46.03 111.675 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -88.27 -18.89 27.59 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 118.932 -1.107 . . . . 39.87 112.931 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.47 -38.0 50.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.183 -1.407 . . . . 34.02 111.184 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.4 p -138.96 -2.21 1.71 Allowed 'General case' 0 C--O 1.241 0.655 0 N-CA-C 114.788 1.403 . . . . 32.67 114.788 -167.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t30 54.77 35.48 24.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.101 0.864 . . . . 50.41 110.758 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 68.19 16.85 9.4 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.786 1.235 . . . . 35.59 113.338 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -98.85 117.43 33.32 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 118.813 0.733 . . . . 35.61 109.152 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.8 p -67.51 -17.73 64.78 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.571 -0.852 . . . . 36.73 112.596 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -93.32 5.05 52.87 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.166 0.802 . . . . 35.9 113.166 -174.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 135.7 55.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.883 0.849 . . . . 32.09 112.58 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -137.41 143.07 41.7 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.375 -0.972 . . . . 36.34 108.375 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -142.47 129.76 21.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.21 -0.663 . . . . 64.36 109.21 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -91.25 139.34 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.461 0.476 . . . . 52.67 110.626 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -103.99 160.75 14.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.954 0.883 . . . . 57.96 111.164 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -64.87 -28.53 69.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.226 -0.897 . . . . 74.84 111.983 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -74.15 2.43 9.0 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 118.376 -1.33 . . . . 46.39 112.899 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.6 -8.4 79.86 Favored Glycine 0 C--O 1.243 0.67 0 CA-C-N 119.305 0.957 . . . . 46.37 114.985 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -76.52 164.07 26.3 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.101 0.951 . . . . 34.36 110.107 171.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.1 m -135.48 142.77 45.56 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.774 -0.824 . . . . 36.82 108.774 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -98.99 143.35 29.37 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.782 -0.451 . . . . 44.63 109.782 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -130.74 130.1 43.34 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.558 -0.292 . . . . 37.18 111.135 -167.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.89 -171.41 34.34 Favored Glycine 0 N--CA 1.438 -1.191 0 CA-C-O 123.141 1.412 . . . . 35.93 113.674 161.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 tt -63.8 -23.34 33.1 Favored 'Isoleucine or valine' 0 C--N 1.337 0.064 0 CA-C-N 113.241 -1.479 . . . . 43.23 111.706 -172.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt -117.64 11.2 13.64 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.83 0.678 . . . . 37.97 112.83 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 55.71 52.76 10.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.66 0.784 . . . . 33.4 112.457 166.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.5 mt -81.78 138.52 19.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 CA-C-N 114.907 -1.042 . . . . 37.7 110.59 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -95.08 140.69 29.67 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.937 0.495 . . . . 38.83 112.079 -161.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -79.12 -17.38 55.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 113.933 1.086 . . . . 36.2 113.933 -173.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' NH1' ' O ' ' A' ' 70' ' ' PRO . 7.1 tpp180 -68.03 -38.47 82.58 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.839 -0.744 . . . . 54.53 111.234 177.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -109.24 -38.56 5.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.833 1.42 . . . . 76.16 114.833 -175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.462 ' CE2' HG12 ' A' ' 98' ' ' ILE . 83.9 m95 -110.03 -31.27 7.43 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.813 1.412 . . . . 39.75 114.813 -154.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -140.11 169.2 18.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.217 -1.031 . . . . 37.98 108.217 179.423 60.297 86.475 97.454 104.692 2.042 104.338 -61.521 -61.325 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -111.1 122.43 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.105 -0.702 . . . . 53.43 109.105 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -117.02 8.43 13.38 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.564 -0.454 . . . . 39.09 112.195 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.23 3.49 65.59 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 115.289 0.876 . . . . 42.75 115.289 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -141.41 21.95 2.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 118.536 1.168 . . . . 46.82 112.796 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -118.8 108.35 41.1 Favored Pre-proline 0 C--O 1.247 0.947 0 N-CA-C 107.562 -1.273 . . . . 57.04 107.562 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 31.2 Cg_exo -72.37 140.61 33.81 Favored 'Trans proline' 0 C--N 1.329 -0.476 0 CA-C-N 119.458 0.842 . . . . 81.68 111.586 -178.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 21.37 73.2 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.441 -0.885 . . . . 70.77 113.982 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 306' ' ' HOH . 6.2 p -78.5 141.56 38.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.684 0.742 . . . . 63.86 110.611 -178.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -99.36 -19.72 16.87 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 113.615 0.968 . . . . 94.09 113.615 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.7 t30 45.71 58.33 4.38 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.238 1.015 . . . . 45.66 112.213 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 75' ' ' LEU . 85.9 mt -71.77 -29.09 64.12 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.746 -1.182 . . . . 46.9 112.743 -174.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.0 m -82.52 -6.5 59.36 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 118.73 -1.188 . . . . 40.01 112.78 174.489 -65.155 172.337 81.694 104.657 2.039 106.995 50.409 -172.02 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.81 45.54 7.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.782 0.833 . . . . 46.46 111.698 173.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 pt -143.53 152.55 56.95 Favored Pre-proline 0 C--O 1.238 0.497 0 CA-C-N 115.795 -0.638 . . . . 51.97 109.435 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.6 145.66 76.84 Favored 'Trans proline' 0 C--N 1.326 -0.61 0 N-CA-C 110.546 -0.598 . . . . 43.13 110.546 165.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.31 -25.62 67.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.297 -0.865 . . . . 35.84 111.783 -177.808 -61.325 -61.521 97.454 104.338 2.042 104.692 86.475 60.297 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.5 p -65.86 -25.1 67.04 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.187 0.44 . . . . 41.51 112.187 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.41 68.74 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.246 -0.582 . . . . 45.1 111.681 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.3 mt -74.41 -5.16 40.81 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.759 1.022 . . . . 42.57 113.759 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -101.84 -4.74 25.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.024 0.829 . . . . 44.71 112.623 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.1 t -52.87 151.28 4.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.823 0.82 . . . . 43.85 112.547 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.0 p -63.16 -19.72 64.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.718 -0.673 . . . . 51.2 112.011 167.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -90.18 120.49 31.39 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.037 -1.098 . . . . 57.3 108.037 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 pt -87.91 5.88 3.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 112.087 0.403 . . . . 40.84 112.087 -169.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.6 m -57.62 -47.78 81.25 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.596 -0.842 . . . . 40.12 112.163 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.29 94.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.741 -1.184 . . . . 40.37 110.846 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -64.49 -41.63 96.35 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.622 -0.431 . . . . 36.62 110.933 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.3 -41.07 80.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.725 0.298 . . . . 35.8 110.81 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.1 -41.82 99.45 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 119.823 -0.751 . . . . 46.15 110.903 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.6 t -67.18 -43.94 80.92 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 121.071 -0.252 . . . . 35.43 111.208 177.936 -172.02 50.409 81.694 106.995 2.039 104.657 172.337 -65.155 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.63 70.41 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.265 -0.574 . . . . 32.51 111.279 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -61.86 -40.52 95.65 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.707 -0.797 . . . . 46.45 110.585 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -67.02 -39.75 87.09 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.802 -0.759 . . . . 72.43 111.249 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.462 HG12 ' CE2' ' A' ' 63' ' ' TRP . 61.7 mt -64.62 -51.23 70.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.257 -0.577 . . . . 36.8 110.27 -178.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.56 -16.95 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 119.569 -0.853 . . . . 36.11 111.115 -175.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -88.25 -8.35 55.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.231 1.197 . . . . 46.13 114.231 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -86.09 12.57 9.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 119.602 1.092 . . . . 61.73 113.781 -166.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.16 -37.42 3.18 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 116.329 1.292 . . . . 51.81 116.329 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -97.04 7.51 46.49 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.371 1.086 . . . . 79.93 112.817 -177.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 52.41 -141.22 27.13 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.574 -0.822 . . . . 31.86 112.16 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.3 mtp -82.25 -6.63 59.36 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.964 0.727 . . . . 32.77 112.964 -172.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -59.01 -13.82 7.68 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.958 0.725 . . . . 34.71 112.958 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -21.03 61.34 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.995 0.739 . . . . 37.82 112.995 173.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -105.21 112.1 25.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.398 -1.704 . . . . 36.9 106.398 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.34 -39.76 86.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.678 -0.409 . . . . 42.93 110.939 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.07 89.73 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.299 -0.961 . . . . 35.71 111.162 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -61.71 -51.73 67.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.117 -0.633 . . . . 32.05 110.582 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -53.79 -42.8 68.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.589 0.233 . . . . 60.77 111.339 177.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -89.14 -23.92 22.34 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 114.456 1.28 . . . . 38.26 114.456 -172.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -126.34 -9.91 6.36 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 114.767 1.395 . . . . 40.36 114.767 -171.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 58.8 m -118.59 -43.1 2.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.523 1.056 . . . . 31.43 113.85 179.949 -54.982 -80.279 -90.184 103.265 2.028 104.4 -93.586 -175.357 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -53.89 127.28 25.5 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.681 0.392 . . . . 38.11 110.935 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.35 4.9 87.41 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 115.911 1.125 . . . . 45.56 115.911 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.4 p -100.9 174.59 5.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.633 1.216 . . . . 41.66 109.5 176.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -82.6 80.65 8.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.148 0.975 . . . . 63.4 108.684 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.26 -17.39 20.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.518 -0.765 . . . . 45.11 112.661 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . 0.423 ' OE1' ' HG3' ' A' ' 125' ' ' ARG . 0.5 OUTLIER -66.94 -19.3 65.7 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.538 -1.265 . . . . 91.37 111.242 179.758 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.61 -21.96 61.13 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.415 0.524 . . . . 45.31 112.415 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.402 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 95.7 m95 -74.59 -20.05 60.08 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.384 0.883 . . . . 44.06 113.384 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.2 pt -108.0 -0.44 9.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 118.823 0.738 . . . . 52.58 112.451 174.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' HG3' ' OE1' ' A' ' 121' ' ' GLN . 8.3 mtm-85 -64.45 138.94 58.69 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.212 0.53 . . . . 74.97 109.945 -177.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.78 -7.46 69.8 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.836 -0.98 . . . . 47.31 115.228 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.9 m -87.72 146.08 25.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.097 1.449 . . . . 45.09 111.301 179.312 -49.801 -64.462 -69.069 104.204 2.021 103.703 -59.188 -64.247 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -86.31 99.71 11.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.894 -1.15 . . . . 53.64 107.894 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.345 -0.389 . . . . 70.26 111.602 -178.514 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 tttp . . . . . 0 C--O 1.237 0.403 0 N-CA-C 110.371 -0.233 . . . . 49.6 110.371 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.52 106.09 18.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.892 -1.151 . . . . 46.12 107.892 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.01 150.36 47.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.37 0.605 . . . . 46.4 111.431 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.35 160.21 49.3 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 120.504 -0.855 . . . . 45.16 111.894 159.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.52 -59.8 4.81 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.386 -0.479 . . . . 48.52 111.217 -177.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -66.22 -37.74 86.27 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 122.025 -0.422 . . . . 42.09 112.036 179.911 -64.247 -59.188 -69.069 103.703 2.021 104.204 -64.462 -49.801 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -54.61 -48.51 72.13 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.133 0.492 . . . . 51.46 111.516 174.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.09 -43.65 91.41 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.74 -0.384 . . . . 39.06 111.312 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.34 72.51 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 122.077 -0.389 . . . . 34.15 111.585 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.77 80.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.652 0.263 . . . . 40.09 111.476 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.35 94.53 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.845 -0.742 . . . . 35.91 111.561 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.9 mtm -67.57 -42.71 82.13 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.996 -1.082 . . . . 47.42 111.16 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -58.77 -47.21 85.51 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.598 -0.441 . . . . 52.55 111.147 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -56.45 -35.71 68.21 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 122.222 -0.299 . . . . 67.36 111.748 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -86.72 14.88 6.34 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.9 0.704 . . . . 42.87 112.9 -179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.56 22.46 56.14 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 116.699 1.44 . . . . 47.01 116.699 171.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 17' ' ' LEU . 18.8 mt -89.29 -17.18 29.47 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 118.802 1.301 . . . . 43.05 113.927 -176.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.57 119.6 13.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.934 0.788 . . . . 71.68 108.897 -176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 63.59 22.79 13.32 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.27 1.428 . . . . 59.83 113.373 -176.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -69.14 123.39 20.98 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 120.679 -1.263 . . . . 45.75 109.223 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 52.79 32.88 12.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.716 0.806 . . . . 69.86 111.957 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.72 2.83 78.2 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 116.541 1.376 . . . . 33.57 116.541 175.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -102.05 112.08 24.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 119.167 1.484 . . . . 34.82 109.945 -174.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -61.75 160.98 10.82 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 122.369 1.08 . . . . 35.17 111.377 179.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.92 -35.24 74.46 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.601 -1.181 . . . . 41.49 111.988 -173.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.33 -33.73 58.62 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.333 -0.937 . . . . 31.9 113.564 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -63.97 -46.07 86.29 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.329 -0.512 . . . . 34.68 111.183 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -68.41 -39.29 81.67 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.543 -0.299 . . . . 37.72 111.055 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.4 -42.72 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 119.872 -0.731 . . . . 29.39 110.25 175.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.67 -44.32 93.64 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 122.028 -0.42 . . . . 29.83 111.765 178.973 -175.357 -93.586 -90.184 104.4 2.028 103.265 -80.279 -54.982 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.62 88.24 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 111.628 0.233 . . . . 32.33 111.628 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -38.81 78.46 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.568 -0.853 . . . . 34.93 111.378 174.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 50.8 tptt -58.3 -50.04 75.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.838 0.352 . . . . 46.03 111.675 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -88.27 -18.89 27.59 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 118.932 -1.107 . . . . 39.87 112.931 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -77.47 -38.0 50.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 118.183 -1.407 . . . . 34.02 111.184 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.4 p -138.96 -2.21 1.71 Allowed 'General case' 0 C--O 1.241 0.655 0 N-CA-C 114.788 1.403 . . . . 32.67 114.788 -167.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t30 54.77 35.48 24.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.101 0.864 . . . . 50.41 110.758 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 68.19 16.85 9.4 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.786 1.235 . . . . 35.59 113.338 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -98.85 117.43 33.32 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 118.813 0.733 . . . . 35.61 109.152 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.8 p -67.51 -17.73 64.78 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.571 -0.852 . . . . 36.73 112.596 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -93.32 5.05 52.87 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.166 0.802 . . . . 35.9 113.166 -174.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 135.7 55.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.883 0.849 . . . . 32.09 112.58 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -137.41 143.07 41.7 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.375 -0.972 . . . . 36.34 108.375 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -142.47 129.76 21.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 109.21 -0.663 . . . . 64.36 109.21 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -91.25 139.34 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.461 0.476 . . . . 52.67 110.626 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -103.99 160.75 14.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.954 0.883 . . . . 57.96 111.164 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 p -64.87 -28.53 69.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.226 -0.897 . . . . 74.84 111.983 -175.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -74.15 2.43 9.0 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 118.376 -1.33 . . . . 46.39 112.899 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.6 -8.4 79.86 Favored Glycine 0 C--O 1.243 0.67 0 CA-C-N 119.305 0.957 . . . . 46.37 114.985 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -76.52 164.07 26.3 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.101 0.951 . . . . 34.36 110.107 171.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.1 m -135.48 142.77 45.56 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.774 -0.824 . . . . 36.82 108.774 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -98.99 143.35 29.37 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.782 -0.451 . . . . 44.63 109.782 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -130.74 130.1 43.34 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.558 -0.292 . . . . 37.18 111.135 -167.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.89 -171.41 34.34 Favored Glycine 0 N--CA 1.438 -1.191 0 CA-C-O 123.141 1.412 . . . . 35.93 113.674 161.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 tt -63.8 -23.34 33.1 Favored 'Isoleucine or valine' 0 C--N 1.337 0.064 0 CA-C-N 113.241 -1.479 . . . . 43.23 111.706 -172.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt -117.64 11.2 13.64 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.83 0.678 . . . . 37.97 112.83 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 55.71 52.76 10.41 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.66 0.784 . . . . 33.4 112.457 166.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.5 mt -81.78 138.52 19.39 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 CA-C-N 114.907 -1.042 . . . . 37.7 110.59 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -95.08 140.69 29.67 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 122.937 0.495 . . . . 38.83 112.079 -161.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -79.12 -17.38 55.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 113.933 1.086 . . . . 36.2 113.933 -173.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' NH1' ' O ' ' A' ' 70' ' ' PRO . 7.1 tpp180 -68.03 -38.47 82.58 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.839 -0.744 . . . . 54.53 111.234 177.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -109.24 -38.56 5.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 114.833 1.42 . . . . 76.16 114.833 -175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.462 ' CE2' HG12 ' A' ' 98' ' ' ILE . 83.9 m95 -110.03 -31.27 7.43 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.813 1.412 . . . . 39.75 114.813 -154.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -140.11 169.2 18.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.217 -1.031 . . . . 37.98 108.217 179.423 60.297 86.475 97.454 104.692 2.042 104.338 -61.521 -61.325 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -111.1 122.43 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.105 -0.702 . . . . 53.43 109.105 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -117.02 8.43 13.38 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.564 -0.454 . . . . 39.09 112.195 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.23 3.49 65.59 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 115.289 0.876 . . . . 42.75 115.289 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -141.41 21.95 2.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 118.536 1.168 . . . . 46.82 112.796 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -118.8 108.35 41.1 Favored Pre-proline 0 C--O 1.247 0.947 0 N-CA-C 107.562 -1.273 . . . . 57.04 107.562 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 31.2 Cg_exo -72.37 140.61 33.81 Favored 'Trans proline' 0 C--N 1.329 -0.476 0 CA-C-N 119.458 0.842 . . . . 81.68 111.586 -178.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.31 21.37 73.2 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.441 -0.885 . . . . 70.77 113.982 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 306' ' ' HOH . 6.2 p -78.5 141.56 38.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.684 0.742 . . . . 63.86 110.611 -178.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -99.36 -19.72 16.87 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 113.615 0.968 . . . . 94.09 113.615 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.7 t30 45.71 58.33 4.38 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.238 1.015 . . . . 45.66 112.213 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 75' ' ' LEU . 85.9 mt -71.77 -29.09 64.12 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.746 -1.182 . . . . 46.9 112.743 -174.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 95.0 m -82.52 -6.5 59.36 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 118.73 -1.188 . . . . 40.01 112.78 174.489 -65.155 172.337 81.694 104.657 2.039 106.995 50.409 -172.02 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.81 45.54 7.63 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.782 0.833 . . . . 46.46 111.698 173.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 pt -143.53 152.55 56.95 Favored Pre-proline 0 C--O 1.238 0.497 0 CA-C-N 115.795 -0.638 . . . . 51.97 109.435 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.6 145.66 76.84 Favored 'Trans proline' 0 C--N 1.326 -0.61 0 N-CA-C 110.546 -0.598 . . . . 43.13 110.546 165.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.31 -25.62 67.7 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.297 -0.865 . . . . 35.84 111.783 -177.808 -61.325 -61.521 97.454 104.338 2.042 104.692 86.475 60.297 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.5 p -65.86 -25.1 67.04 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.187 0.44 . . . . 41.51 112.187 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.41 68.74 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.246 -0.582 . . . . 45.1 111.681 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.3 mt -74.41 -5.16 40.81 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.759 1.022 . . . . 42.57 113.759 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -101.84 -4.74 25.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.024 0.829 . . . . 44.71 112.623 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.1 t -52.87 151.28 4.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.823 0.82 . . . . 43.85 112.547 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.0 p -63.16 -19.72 64.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.718 -0.673 . . . . 51.2 112.011 167.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -90.18 120.49 31.39 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.037 -1.098 . . . . 57.3 108.037 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 pt -87.91 5.88 3.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 112.087 0.403 . . . . 40.84 112.087 -169.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.6 m -57.62 -47.78 81.25 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.596 -0.842 . . . . 40.12 112.163 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.29 94.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.741 -1.184 . . . . 40.37 110.846 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -64.49 -41.63 96.35 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.622 -0.431 . . . . 36.62 110.933 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.1 t -69.3 -41.07 80.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.725 0.298 . . . . 35.8 110.81 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.1 -41.82 99.45 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 119.823 -0.751 . . . . 46.15 110.903 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.6 t -67.18 -43.94 80.92 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 121.071 -0.252 . . . . 35.43 111.208 177.936 -172.02 50.409 81.694 106.995 2.039 104.657 172.337 -65.155 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.63 70.41 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.265 -0.574 . . . . 32.51 111.279 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -61.86 -40.52 95.65 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.707 -0.797 . . . . 46.45 110.585 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -67.02 -39.75 87.09 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.802 -0.759 . . . . 72.43 111.249 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.462 HG12 ' CE2' ' A' ' 63' ' ' TRP . 61.7 mt -64.62 -51.23 70.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.257 -0.577 . . . . 36.8 110.27 -178.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.56 -16.95 21.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 119.569 -0.853 . . . . 36.11 111.115 -175.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -88.25 -8.35 55.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.231 1.197 . . . . 46.13 114.231 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -86.09 12.57 9.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 119.602 1.092 . . . . 61.73 113.781 -166.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.16 -37.42 3.18 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 116.329 1.292 . . . . 51.81 116.329 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -97.04 7.51 46.49 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.371 1.086 . . . . 79.93 112.817 -177.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 52.41 -141.22 27.13 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.574 -0.822 . . . . 31.86 112.16 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.3 mtp -82.25 -6.63 59.36 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.964 0.727 . . . . 32.77 112.964 -172.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -59.01 -13.82 7.68 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.958 0.725 . . . . 34.71 112.958 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -21.03 61.34 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.995 0.739 . . . . 37.82 112.995 173.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -105.21 112.1 25.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.398 -1.704 . . . . 36.9 106.398 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.34 -39.76 86.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.678 -0.409 . . . . 42.93 110.939 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.07 89.73 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.299 -0.961 . . . . 35.71 111.162 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -61.71 -51.73 67.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.117 -0.633 . . . . 32.05 110.582 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -53.79 -42.8 68.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.589 0.233 . . . . 60.77 111.339 177.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -89.14 -23.92 22.34 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 114.456 1.28 . . . . 38.26 114.456 -172.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -126.34 -9.91 6.36 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 114.767 1.395 . . . . 40.36 114.767 -171.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 58.8 m -118.59 -43.1 2.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.523 1.056 . . . . 31.43 113.85 179.949 -54.982 -80.279 -90.184 103.265 2.028 104.4 -93.586 -175.357 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -53.89 127.28 25.5 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.681 0.392 . . . . 38.11 110.935 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.35 4.9 87.41 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 115.911 1.125 . . . . 45.56 115.911 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.4 p -100.9 174.59 5.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.633 1.216 . . . . 41.66 109.5 176.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -82.6 80.65 8.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.148 0.975 . . . . 63.4 108.684 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.26 -17.39 20.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.518 -0.765 . . . . 45.11 112.661 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.423 ' OE1' ' HG3' ' A' ' 125' ' ' ARG . 0.5 OUTLIER -66.94 -19.3 65.7 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 118.538 -1.265 . . . . 91.37 111.242 179.758 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.61 -21.96 61.13 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.415 0.524 . . . . 45.31 112.415 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.402 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 95.7 m95 -74.59 -20.05 60.08 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.384 0.883 . . . . 44.06 113.384 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.2 pt -108.0 -0.44 9.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 118.823 0.738 . . . . 52.58 112.451 174.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' HG3' ' OE1' ' A' ' 121' ' ' GLN . 8.3 mtm-85 -64.45 138.94 58.69 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.212 0.53 . . . . 74.97 109.945 -177.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.78 -7.46 69.8 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.836 -0.98 . . . . 47.31 115.228 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.9 m -87.72 146.08 25.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.097 1.449 . . . . 45.09 111.301 179.312 -49.801 -64.462 -69.069 104.204 2.021 103.703 -59.188 -64.247 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -86.31 99.71 11.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.894 -1.15 . . . . 53.64 107.894 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.345 -0.389 . . . . 70.26 111.602 -178.514 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_