data_3nrl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3nrl _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 112.624 0.601 . . . . 58.979999999999997 112.624 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.97 141.28 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 114.408 1.262 . . . . 60.840000000000003 114.408 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.2 -171.61 25.24 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.34 -0.845 . . . . 22.370000000000001 111.479 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.3 p -121.81 135.68 54.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.232 -0.655 . . . . 42.829999999999998 109.232 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -86.02 135.37 33.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.505 -0.77 . . . . 20.170000000000002 111.041 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -154.37 157.81 39.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.961 0.41 . . . . 30.760000000000002 111.379 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -93.57 129.42 39.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 48.210000000000001 111.093 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' THR . 10.0 t0 -98.71 115.33 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 45.93 109.979 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -57.98 -57.07 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.944 1.461 . . . . 63.600000000000001 114.944 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -73.77 42.65 0.14 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.961 0.726 . . . . 88.319999999999993 112.961 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER 168.93 90.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.841 -2.652 . . . . 67.599999999999994 103.841 179.563 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.93 41.37 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 N-CA-C 115.717 1.047 . . . . 54.329999999999998 115.717 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . 0.791 ' N ' ' O ' ' A' ' 15' ' ' THR . 78.5 mtt-85 -127.0 157.83 38.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.415 0.626 . . . . 53.789999999999999 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -87.71 153.69 21.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.939 -2.615 . . . . 33.200000000000003 103.939 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -140.9 171.79 13.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.779 -0.823 . . . . 42.130000000000003 108.779 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 98.1 mt -125.47 126.47 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.234 -0.439 . . . . 29.199999999999999 111.531 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ttm-85 -97.29 116.61 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.466 -1.309 . . . . 49.710000000000001 107.466 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -93.83 -36.51 12.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 36.060000000000002 111.887 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.42 175.51 9.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.981 -0.748 . . . . 63.909999999999997 108.981 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 tp -49.88 -38.07 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.407 -0.361 . . . . 44.390000000000001 110.698 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -135.83 40.34 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.712 0.634 . . . . 75.390000000000001 112.712 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -133.66 114.43 13.48 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.05 -1.093 . . . . 42.450000000000003 108.05 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.04 155.51 34.21 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 123.418 0.449 . . . . 42.079999999999998 111.329 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -69.12 -35.81 76.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.634 0.255 . . . . 49.350000000000001 110.918 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.94 -6.54 30.98 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.226 -0.988 . . . . 45.079999999999998 114.917 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.7 122.73 2.96 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.149 -1.025 . . . . 44.590000000000003 113.421 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.03 136.41 34.05 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.722 0.409 . . . . 31.039999999999999 111.226 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' N ' ' OE2' ' A' ' 35' ' ' GLU . 84.8 m-70 -107.6 155.7 19.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.824 -0.806 . . . . 68.620000000000005 108.824 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.8 m -49.3 138.84 12.25 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.506 -0.477 . . . . 45.75 110.499 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.91 -16.04 60.38 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 116.589 1.395 . . . . 30.640000000000001 116.589 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 32' ' ' HIS . 20.0 mt-10 -66.46 135.0 53.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.917 0.858 . . . . 51.030000000000001 111.873 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.8 p -107.97 151.29 26.01 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.227 0.825 . . . . 59.479999999999997 113.227 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -170.34 171.72 6.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.85 -1.167 . . . . 29.550000000000001 107.85 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -103.46 149.73 24.55 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.886 -0.326 . . . . 29.300000000000001 110.716 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.16 134.1 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.443 -1.688 . . . . 20.699999999999999 106.443 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -78.35 125.43 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 53.789999999999999 109.252 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.6 t -129.94 104.3 10.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 104.381 -2.451 . . . . 25.59 104.381 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 58.56 -107.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.131 -1.063 . . . . 41.399999999999999 108.131 -177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -109.87 7.39 23.95 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.545 0.572 . . . . 66.310000000000002 112.545 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.85 151.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.887 1.069 . . . . 35.770000000000003 113.887 -178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -104.42 122.03 44.65 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 106.946 -1.502 . . . . 29.23 106.946 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -104.61 125.2 34.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.254 -0.43 . . . . 32.920000000000002 110.956 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -71.61 128.58 14.52 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.286 1.324 . . . . 23.030000000000001 111.955 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 m -136.47 170.63 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.25 0.548 . . . . 22.940000000000001 110.539 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -136.83 133.21 35.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.035 -2.58 . . . . 30.649999999999999 104.035 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.7 tt -93.08 136.74 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 118.943 -1.103 . . . . 22.239999999999998 108.852 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -137.47 170.8 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 31.02 110.347 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MSE . . . . . . . . . . . . . 30.5 tpp -124.97 121.36 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 43.579999999999998 111.849 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.85 -108.98 2.65 Favored Glycine 0 N--CA 1.453 -0.228 0 N-CA-C 103.516 -3.834 . . . . 38.289999999999999 103.516 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -84.81 -22.68 29.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 103.915 -2.624 . . . . 77.040000000000006 103.915 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -155.94 163.37 39.83 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.471 -1.241 . . . . 54.409999999999997 107.911 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -61.6 138.95 58.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.843 0.312 . . . . 33.539999999999999 111.843 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -151.42 163.87 38.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.893 -0.41 . . . . 28.59 109.893 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.41 136.15 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.101 -0.64 . . . . 24.350000000000001 112.023 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.77 130.42 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 103.289 -2.856 . . . . 21.879999999999999 103.289 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.08 -10.44 27.02 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 115.805 1.082 . . . . 24.399999999999999 115.805 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.0 tp -159.72 130.94 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.928 0.395 . . . . 31.300000000000001 110.706 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -89.76 116.52 27.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.689 -0.856 . . . . 44.100000000000001 108.689 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.92 153.07 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 25.579999999999998 109.892 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -67.04 -35.0 78.92 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.013 0.435 . . . . 27.719999999999999 110.451 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -163.38 159.74 22.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.742 -0.836 . . . . 41.299999999999997 108.742 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.53 -20.56 29.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.315 1.228 . . . . 23.329999999999998 114.315 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.41 124.63 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 117.106 2.262 . . . . 31.539999999999999 117.106 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.47 1.2 89.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 118.469 2.147 . . . . 20.640000000000001 118.469 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.95 147.46 53.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.968 0.884 . . . . 16.920000000000002 110.295 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -90.96 128.86 36.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 104.712 -2.329 . . . . 61.759999999999998 104.712 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.97 167.42 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 112.822 0.675 . . . . 19.390000000000001 112.822 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 141.44 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.739 -1.119 . . . . 43.609999999999999 109.265 -179.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MSE . . . . . . . . . . . . . 58.1 mtp . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.28 -1.343 . . . . 65.959999999999994 109.835 178.831 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 111.993 0.368 . . . . 56.340000000000003 111.993 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -99.22 149.21 23.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.477 -0.934 . . . . 54.119999999999997 108.477 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.06 -167.6 24.82 Favored Glycine 0 CA--C 1.506 -0.472 0 C-N-CA 119.428 -1.368 . . . . 18.739999999999998 111.627 -179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 66.6 p -122.74 139.21 54.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.973 0.416 . . . . 28.57 110.161 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -87.78 132.53 34.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.303 -0.862 . . . . 19.09 108.776 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -149.99 156.17 41.23 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.936 -0.305 . . . . 20.449999999999999 111.149 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -83.54 122.23 28.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.488 -0.56 . . . . 32.119999999999997 109.488 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -95.59 101.52 13.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 24.949999999999999 111.991 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 52.9 p -62.11 -16.61 53.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 114.039 1.125 . . . . 31.059999999999999 114.039 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -77.4 -20.46 54.63 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.687 -0.805 . . . . 54.289999999999999 111.383 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -128.41 -13.16 4.95 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 115.751 1.76 . . . . 22.960000000000001 115.751 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.94 12.09 84.94 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.024 -1.084 . . . . 22.300000000000001 111.306 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -115.11 168.62 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 37.950000000000003 110.27 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.01 148.09 22.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 102.724 -3.065 . . . . 27.109999999999999 102.724 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -138.0 171.61 14.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.723 -1.214 . . . . 32.350000000000001 107.723 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.4 mt -122.2 131.55 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 109.675 -0.491 . . . . 18.199999999999999 109.675 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' B' ' 24' ' ' LEU . 11.0 ttm-85 -101.78 113.4 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 105.842 -1.91 . . . . 43.93 105.842 177.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -86.21 -42.82 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.447 0.536 . . . . 31.670000000000002 112.447 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -133.88 -175.69 3.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.097 -0.705 . . . . 51.18 109.097 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . 0.492 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 32.1 tp -51.0 -43.8 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.258 -0.977 . . . . 24.77 112.279 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -128.33 30.67 5.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.089 1.144 . . . . 26.879999999999999 114.089 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -119.61 125.74 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.976 -0.749 . . . . 28.199999999999999 108.976 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -127.92 152.53 47.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 27.460000000000001 111.628 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.64 -39.1 80.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.183 -0.303 . . . . 36.859999999999999 110.183 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.38 11.42 17.76 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 115.773 1.069 . . . . 32.289999999999999 115.773 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.07 120.72 4.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.69 -1.243 . . . . 22.98 113.026 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 75.4 mt -84.02 142.5 30.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.489 0.552 . . . . 20.649999999999999 112.489 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -112.1 157.71 20.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 37.799999999999997 110.034 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 67.6 m -53.52 134.61 40.77 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.346 -0.388 . . . . 30.379999999999999 110.34 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.73 -14.71 63.77 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 116.241 1.256 . . . . 26.539999999999999 116.241 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.3 139.31 45.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.721 0.76 . . . . 39.859999999999999 110.937 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.75 155.0 25.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 114.188 1.181 . . . . 53.960000000000001 114.188 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -170.51 176.33 4.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.02 -1.104 . . . . 23.059999999999999 108.02 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -106.42 148.54 27.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.884 -0.326 . . . . 27.920000000000002 110.607 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 74.2 t -116.36 135.39 56.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 106.37 -1.715 . . . . 20.199999999999999 106.37 177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . 0.559 ' NZ ' ' CD1' ' B' ' 45' ' ' TRP . 0.3 OUTLIER -81.81 119.4 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.525 -0.47 . . . . 52.939999999999998 111.088 179.801 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 67.3 t -125.77 112.09 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 103.41 -2.811 . . . . 40.350000000000001 103.41 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt 66.83 -118.62 0.26 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 106.659 -1.608 . . . . 78.290000000000006 106.659 -177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -123.63 40.99 3.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.163 -0.68 . . . . 58.189999999999998 109.163 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 79.3 t -139.24 148.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.21 -0.905 . . . . 52.159999999999997 109.241 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' TRP . . . . . 0.559 ' CD1' ' NZ ' ' B' ' 40' ' ' LYS . 43.0 m0 -101.2 119.39 38.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.628 -0.878 . . . . 72.230000000000004 108.628 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.25 124.11 44.26 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-O 120.98 0.419 . . . . 28.879999999999999 111.628 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.71 131.4 17.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 120.092 0.528 . . . . 25.649999999999999 112.45 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.84 170.82 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.715 0.769 . . . . 18.239999999999998 111.178 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -141.08 128.55 21.25 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 103.012 -2.959 . . . . 25.73 103.012 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 tt -87.83 137.33 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 119.455 -0.898 . . . . 20.260000000000002 110.099 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -137.26 170.64 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 30.690000000000001 109.969 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' MSE . . . . . . . . . . . . . 8.8 tpt -118.8 121.4 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 41.619999999999997 110.391 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.21 -113.72 2.81 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 104.469 -3.452 . . . . 37.759999999999998 104.469 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -78.2 -25.57 47.11 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 103.16 -2.904 . . . . 54.619999999999997 103.16 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -156.72 173.24 17.26 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.371 -1.344 . . . . 59.600000000000001 107.371 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.99 142.4 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 28.370000000000001 111.401 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -154.93 163.74 39.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.152 -1.055 . . . . 30.949999999999999 108.152 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 79.7 mt -110.83 128.15 55.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.651 0.982 . . . . 24.879999999999999 113.651 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -84.48 121.62 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 103.577 -2.749 . . . . 27.289999999999999 103.577 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.65 -12.3 13.63 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.4 -0.905 . . . . 29.239999999999998 112.511 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -155.38 118.19 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.611 0.597 . . . . 32.829999999999998 112.611 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.39 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.286 -0.635 . . . . 70.060000000000002 109.286 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.3 148.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 56.490000000000002 109.64 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -56.13 -41.99 76.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 48.18 111.908 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' B' ' 110' ' ' HOH . 12.9 ptm180 -152.92 148.63 27.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.289999999999999 110.91 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.41 -23.84 40.09 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.594 1.702 . . . . 31.629999999999999 115.594 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -53.81 127.47 26.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 116.647 2.091 . . . . 33.969999999999999 116.647 -177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 -0.24 89.73 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 118.533 2.173 . . . . 19.050000000000001 118.533 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.08 145.43 56.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.656 -0.817 . . . . 25.34 109.938 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -88.42 133.72 34.03 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 104.553 -2.388 . . . . 63.189999999999998 104.553 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.47 171.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.259 0.466 . . . . 19.120000000000001 112.259 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -150.53 145.74 26.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.643 -0.708 . . . . 72.260000000000005 109.464 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' MSE . . . . . . . . . . . . . 51.5 mtp . . . . . 0 C--O 1.246 0.893 0 CA-C-O 116.637 -1.649 . . . . 49.829999999999998 107.45 178.481 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . 0.421 ' O ' ' NH2' ' B' ' 65' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HD2' ' O ' ' A' ' 73' ' ' MSE . 16.7 mmm180 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 112.624 0.601 . . . . 58.98 112.624 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.97 141.28 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 114.408 1.262 . . . . 60.84 114.408 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.2 -171.61 25.24 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.34 -0.845 . . . . 22.37 111.479 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.3 p -121.81 135.68 54.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.232 -0.655 . . . . 42.83 109.232 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -86.02 135.37 33.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.505 -0.77 . . . . 20.17 111.041 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -154.37 157.81 39.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.961 0.41 . . . . 30.76 111.379 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' OH ' ' HA2' ' A' ' 16' ' ' GLY . 58.6 t80 -93.57 129.42 39.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 48.21 111.093 -179.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' THR . 10.0 t0 -98.71 115.33 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 45.93 109.979 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -57.98 -57.07 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.944 1.461 . . . . 63.6 114.944 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 15' ' ' THR . 16.3 mm-40 -73.77 42.65 0.14 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.961 0.726 . . . . 88.32 112.961 -179.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER 168.93 90.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.841 -2.652 . . . . 67.6 103.841 179.563 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . 0.533 ' HA2' ' OH ' ' A' ' 11' ' ' TYR . . . -49.93 41.37 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 N-CA-C 115.717 1.047 . . . . 54.33 115.717 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.791 ' N ' ' O ' ' A' ' 15' ' ' THR . 78.5 mtt-85 -127.0 157.83 38.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.415 0.626 . . . . 53.79 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -87.71 153.69 21.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.939 -2.615 . . . . 33.2 103.939 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -140.9 171.79 13.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.779 -0.823 . . . . 42.13 108.779 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 98.1 mt -125.47 126.47 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.234 -0.439 . . . . 29.2 111.531 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 21' ' ' ARG . 8.0 ttm-85 -97.29 116.61 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.466 -1.309 . . . . 49.71 107.466 178.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -93.83 -36.51 12.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 36.06 111.887 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.42 175.51 9.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.981 -0.748 . . . . 63.91 108.981 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD22 HG13 ' B' ' 41' ' ' VAL . 20.9 tp -49.88 -38.07 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.407 -0.361 . . . . 44.39 110.698 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -135.83 40.34 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.712 0.634 . . . . 75.39 112.712 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -133.66 114.43 13.48 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.05 -1.093 . . . . 42.45 108.05 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.04 155.51 34.21 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 123.418 0.449 . . . . 42.08 111.329 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -69.12 -35.81 76.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.634 0.255 . . . . 49.35 110.918 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.94 -6.54 30.98 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.226 -0.988 . . . . 45.08 114.917 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.7 122.73 2.96 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.149 -1.025 . . . . 44.59 113.421 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.03 136.41 34.05 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.722 0.409 . . . . 31.04 111.226 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HIS . . . . . 0.497 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 84.8 m-70 -107.6 155.7 19.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.824 -0.806 . . . . 68.62 108.824 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.8 m -49.3 138.84 12.25 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.506 -0.477 . . . . 45.75 110.499 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.91 -16.04 60.38 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 116.589 1.395 . . . . 30.64 116.589 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 32' ' ' HIS . 20.0 mt-10 -66.46 135.0 53.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.917 0.858 . . . . 51.03 111.873 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 88' ' ' HOH . 11.8 p -107.97 151.29 26.01 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.227 0.825 . . . . 59.48 113.227 -178.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -170.34 171.72 6.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.85 -1.167 . . . . 29.55 107.85 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -103.46 149.73 24.55 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.886 -0.326 . . . . 29.3 110.716 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.16 134.1 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.443 -1.688 . . . . 20.7 106.443 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.599 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 24.2 tptm -78.35 125.43 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 53.79 109.252 179.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.6 t -129.94 104.3 10.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 104.381 -2.451 . . . . 25.59 104.381 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . 0.599 ' O ' ' HE2' ' A' ' 40' ' ' LYS . 82.2 tttt 58.56 -107.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.131 -1.063 . . . . 41.4 108.131 -177.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -109.87 7.39 23.95 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.545 0.572 . . . . 66.31 112.545 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 45' ' ' TRP . 96.4 t -117.85 151.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.887 1.069 . . . . 35.77 113.887 -178.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TRP . . . . . 0.416 ' N ' HG12 ' A' ' 44' ' ' VAL . 98.6 m95 -104.42 122.03 44.65 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 106.946 -1.502 . . . . 29.23 106.946 178.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -104.61 125.2 34.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.254 -0.43 . . . . 32.92 110.956 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -71.61 128.58 14.52 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.286 1.324 . . . . 23.03 111.955 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 m -136.47 170.63 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.25 0.548 . . . . 22.94 110.539 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -136.83 133.21 35.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.035 -2.58 . . . . 30.65 104.035 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.7 tt -93.08 136.74 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 118.943 -1.103 . . . . 22.24 108.852 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -137.47 170.8 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 31.02 110.347 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MSE . . . . . . . . . . . . . 30.5 tpp -124.97 121.36 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 43.58 111.849 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.85 -108.98 2.65 Favored Glycine 0 N--CA 1.453 -0.228 0 N-CA-C 103.516 -3.834 . . . . 38.29 103.516 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -84.81 -22.68 29.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 103.915 -2.624 . . . . 77.04 103.915 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -155.94 163.37 39.83 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.471 -1.241 . . . . 54.41 107.911 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -61.6 138.95 58.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.843 0.312 . . . . 33.54 111.843 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -151.42 163.87 38.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.893 -0.41 . . . . 28.59 109.893 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.41 136.15 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.101 -0.64 . . . . 24.35 112.023 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.77 130.42 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 103.289 -2.856 . . . . 21.88 103.289 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.08 -10.44 27.02 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 115.805 1.082 . . . . 24.4 115.805 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.0 tp -159.72 130.94 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.928 0.395 . . . . 31.3 110.706 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -89.76 116.52 27.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.689 -0.856 . . . . 44.1 108.689 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.92 153.07 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 25.58 109.892 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -67.04 -35.0 78.92 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.013 0.435 . . . . 27.72 110.451 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HD3' ' OD2' ' A' ' 67' ' ' ASP . 5.1 ptp180 -163.38 159.74 22.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.742 -0.836 . . . . 41.3 108.742 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.53 -20.56 29.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.315 1.228 . . . . 23.33 114.315 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . 0.626 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 3.1 m-20 -58.41 124.63 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 117.106 2.262 . . . . 31.54 117.106 -177.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.47 1.2 89.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 118.469 2.147 . . . . 20.64 118.469 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.95 147.46 53.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.968 0.884 . . . . 16.92 110.295 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -90.96 128.86 36.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 104.712 -2.329 . . . . 61.76 104.712 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.97 167.42 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 112.822 0.675 . . . . 19.39 112.822 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -146.11 141.44 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.739 -1.119 . . . . 43.61 109.265 -179.304 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MSE . . . . . 0.593 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 58.1 mtp . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.28 -1.343 . . . . 65.96 109.835 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 111.993 0.368 . . . . 56.34 111.993 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -99.22 149.21 23.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.477 -0.934 . . . . 54.12 108.477 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.06 -167.6 24.82 Favored Glycine 0 CA--C 1.506 -0.472 0 C-N-CA 119.428 -1.368 . . . . 18.74 111.627 -179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 66.6 p -122.74 139.21 54.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.973 0.416 . . . . 28.57 110.161 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -87.78 132.53 34.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.303 -0.862 . . . . 19.09 108.776 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -149.99 156.17 41.23 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.936 -0.305 . . . . 20.45 111.149 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -83.54 122.23 28.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.488 -0.56 . . . . 32.12 109.488 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -95.59 101.52 13.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 24.95 111.991 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 52.9 p -62.11 -16.61 53.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 114.039 1.125 . . . . 31.06 114.039 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -77.4 -20.46 54.63 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.687 -0.805 . . . . 54.29 111.383 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -128.41 -13.16 4.95 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 115.751 1.76 . . . . 22.96 115.751 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.94 12.09 84.94 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.024 -1.084 . . . . 22.3 111.306 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -115.11 168.62 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 37.95 110.27 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.01 148.09 22.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 102.724 -3.065 . . . . 27.11 102.724 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -138.0 171.61 14.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.723 -1.214 . . . . 32.35 107.723 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.4 mt -122.2 131.55 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 109.675 -0.491 . . . . 18.2 109.675 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' B' ' 24' ' ' LEU . 11.0 ttm-85 -101.78 113.4 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 105.842 -1.91 . . . . 43.93 105.842 177.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -86.21 -42.82 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.447 0.536 . . . . 31.67 112.447 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -133.88 -175.69 3.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.097 -0.705 . . . . 51.18 109.097 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . 0.492 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 32.1 tp -51.0 -43.8 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.258 -0.977 . . . . 24.77 112.279 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -128.33 30.67 5.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.089 1.144 . . . . 26.88 114.089 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -119.61 125.74 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.976 -0.749 . . . . 28.2 108.976 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -127.92 152.53 47.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 27.46 111.628 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.64 -39.1 80.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.183 -0.303 . . . . 36.86 110.183 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.38 11.42 17.76 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 115.773 1.069 . . . . 32.29 115.773 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.07 120.72 4.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.69 -1.243 . . . . 22.98 113.026 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 75.4 mt -84.02 142.5 30.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.489 0.552 . . . . 20.65 112.489 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -112.1 157.71 20.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 37.8 110.034 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 67.6 m -53.52 134.61 40.77 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.346 -0.388 . . . . 30.38 110.34 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.73 -14.71 63.77 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 116.241 1.256 . . . . 26.54 116.241 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.3 139.31 45.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.721 0.76 . . . . 39.86 110.937 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' CYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 99' ' ' HOH . 26.6 p -112.75 155.0 25.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 114.188 1.181 . . . . 53.96 114.188 -178.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -170.51 176.33 4.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.02 -1.104 . . . . 23.06 108.02 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASP . . . . . 0.634 ' HB2' ' HG2' ' B' ' 72' ' ' ARG . 73.6 m-20 -106.42 148.54 27.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.884 -0.326 . . . . 27.92 110.607 179.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 74.2 t -116.36 135.39 56.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 106.37 -1.715 . . . . 20.2 106.37 177.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . 0.485 ' NZ ' ' CD1' ' B' ' 45' ' ' TRP . 0.3 OUTLIER -81.81 119.4 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.525 -0.47 . . . . 52.94 111.088 179.801 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' B' ' 42' ' ' LYS . 67.3 t -125.77 112.09 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 103.41 -2.811 . . . . 40.35 103.41 178.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' B' ' 41' ' ' VAL . 49.8 mmtt 66.83 -118.62 0.26 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 106.659 -1.608 . . . . 78.29 106.659 -177.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -123.63 40.99 3.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.163 -0.68 . . . . 58.19 109.163 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 79.3 t -139.24 148.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.21 -0.905 . . . . 52.16 109.241 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' TRP . . . . . 0.488 ' CE3' ' HD3' ' B' ' 72' ' ' ARG . 43.0 m0 -101.2 119.39 38.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.628 -0.878 . . . . 72.23 108.628 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.25 124.11 44.26 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-O 120.98 0.419 . . . . 28.88 111.628 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.71 131.4 17.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 120.092 0.528 . . . . 25.65 112.45 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.84 170.82 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.715 0.769 . . . . 18.24 111.178 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -141.08 128.55 21.25 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 103.012 -2.959 . . . . 25.73 103.012 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 tt -87.83 137.33 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 119.455 -0.898 . . . . 20.26 110.099 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -137.26 170.64 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 30.69 109.969 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' MSE . . . . . 0.681 ' HE3' ' O ' ' B' ' 53' ' ' GLY . 8.8 tpt -118.8 121.4 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 41.62 110.391 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . 0.681 ' O ' ' HE3' ' B' ' 52' ' ' MSE . . . -116.21 -113.72 2.81 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 104.469 -3.452 . . . . 37.76 104.469 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -78.2 -25.57 47.11 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 103.16 -2.904 . . . . 54.62 103.16 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . 0.541 ' HA ' ' HE1' ' B' ' 52' ' ' MSE . 23.9 t70 -156.72 173.24 17.26 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.371 -1.344 . . . . 59.6 107.371 178.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.99 142.4 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 28.37 111.401 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -154.93 163.74 39.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.152 -1.055 . . . . 30.95 108.152 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 79.7 mt -110.83 128.15 55.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.651 0.982 . . . . 24.88 113.651 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -84.48 121.62 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 103.577 -2.749 . . . . 27.29 103.577 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.65 -12.3 13.63 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.4 -0.905 . . . . 29.24 112.511 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -155.38 118.19 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.611 0.597 . . . . 32.83 112.611 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -90.39 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.286 -0.635 . . . . 70.06 109.286 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.3 148.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 56.49 109.64 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -56.13 -41.99 76.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 48.18 111.908 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' B' ' 110' ' ' HOH . 12.9 ptm180 -152.92 148.63 27.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.29 110.91 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.41 -23.84 40.09 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.594 1.702 . . . . 31.63 115.594 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -53.81 127.47 26.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 116.647 2.091 . . . . 33.97 116.647 -177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 -0.24 89.73 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 118.533 2.173 . . . . 19.05 118.533 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.08 145.43 56.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.656 -0.817 . . . . 25.34 109.938 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -88.42 133.72 34.03 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 104.553 -2.388 . . . . 63.19 104.553 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.47 171.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.259 0.466 . . . . 19.12 112.259 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . 0.634 ' HG2' ' HB2' ' B' ' 38' ' ' ASP . 9.0 ptm180 -150.53 145.74 26.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.643 -0.708 . . . . 72.26 109.464 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' MSE . . . . . . . . . . . . . 51.5 mtp . . . . . 0 C--O 1.246 0.893 0 CA-C-O 116.637 -1.649 . . . . 49.83 107.45 178.481 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . 0.483 ' O ' ' HB2' ' B' ' 36' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . 0.421 ' O ' ' NH2' ' B' ' 65' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HD2' ' O ' ' A' ' 73' ' ' MSE . 16.7 mmm180 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 112.624 0.601 . . . . 58.979999999999997 112.624 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -96.97 141.28 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 114.408 1.262 . . . . 60.840000000000003 114.408 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.2 -171.61 25.24 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.34 -0.845 . . . . 22.370000000000001 111.479 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.3 p -121.81 135.68 54.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.232 -0.655 . . . . 42.829999999999998 109.232 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -86.02 135.37 33.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.505 -0.77 . . . . 20.170000000000002 111.041 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -154.37 157.81 39.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.961 0.41 . . . . 30.760000000000002 111.379 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' OH ' ' HA2' ' A' ' 16' ' ' GLY . 58.6 t80 -93.57 129.42 39.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 48.210000000000001 111.093 -179.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' THR . 10.0 t0 -98.71 115.33 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 45.93 109.979 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -57.98 -57.07 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.944 1.461 . . . . 63.600000000000001 114.944 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 15' ' ' THR . 16.3 mm-40 -73.77 42.65 0.14 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.961 0.726 . . . . 88.319999999999993 112.961 -179.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER 168.93 90.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.841 -2.652 . . . . 67.599999999999994 103.841 179.563 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.533 ' HA2' ' OH ' ' A' ' 11' ' ' TYR . . . -49.93 41.37 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 N-CA-C 115.717 1.047 . . . . 54.329999999999998 115.717 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.791 ' N ' ' O ' ' A' ' 15' ' ' THR . 78.5 mtt-85 -127.0 157.83 38.52 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.415 0.626 . . . . 53.789999999999999 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -87.71 153.69 21.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 103.939 -2.615 . . . . 33.200000000000003 103.939 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -140.9 171.79 13.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.779 -0.823 . . . . 42.130000000000003 108.779 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 98.1 mt -125.47 126.47 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.234 -0.439 . . . . 29.199999999999999 111.531 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG3' ' NH1' ' A' ' 21' ' ' ARG . 8.0 ttm-85 -97.29 116.61 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.466 -1.309 . . . . 49.710000000000001 107.466 178.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -93.83 -36.51 12.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 36.060000000000002 111.887 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -138.42 175.51 9.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.981 -0.748 . . . . 63.909999999999997 108.981 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD22 HG13 ' B' ' 41' ' ' VAL . 20.9 tp -49.88 -38.07 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.407 -0.361 . . . . 44.390000000000001 110.698 179.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -135.83 40.34 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.712 0.634 . . . . 75.390000000000001 112.712 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.2 t -133.66 114.43 13.48 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.05 -1.093 . . . . 42.450000000000003 108.05 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -121.04 155.51 34.21 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 123.418 0.449 . . . . 42.079999999999998 111.329 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -69.12 -35.81 76.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.634 0.255 . . . . 49.350000000000001 110.918 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.94 -6.54 30.98 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.226 -0.988 . . . . 45.079999999999998 114.917 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.7 122.73 2.96 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.149 -1.025 . . . . 44.590000000000003 113.421 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.03 136.41 34.05 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.722 0.409 . . . . 31.039999999999999 111.226 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.497 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 84.8 m-70 -107.6 155.7 19.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.824 -0.806 . . . . 68.620000000000005 108.824 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.8 m -49.3 138.84 12.25 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.506 -0.477 . . . . 45.75 110.499 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.91 -16.04 60.38 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 116.589 1.395 . . . . 30.640000000000001 116.589 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 32' ' ' HIS . 20.0 mt-10 -66.46 135.0 53.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.917 0.858 . . . . 51.030000000000001 111.873 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 88' ' ' HOH . 11.8 p -107.97 151.29 26.01 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.227 0.825 . . . . 59.479999999999997 113.227 -178.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -170.34 171.72 6.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 107.85 -1.167 . . . . 29.550000000000001 107.85 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -103.46 149.73 24.55 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.886 -0.326 . . . . 29.300000000000001 110.716 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.16 134.1 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.443 -1.688 . . . . 20.699999999999999 106.443 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.599 ' HE2' ' O ' ' A' ' 42' ' ' LYS . 24.2 tptm -78.35 125.43 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.252 -0.647 . . . . 53.789999999999999 109.252 179.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.6 t -129.94 104.3 10.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 104.381 -2.451 . . . . 25.59 104.381 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.599 ' O ' ' HE2' ' A' ' 40' ' ' LYS . 82.2 tttt 58.56 -107.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.131 -1.063 . . . . 41.399999999999999 108.131 -177.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -109.87 7.39 23.95 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.545 0.572 . . . . 66.310000000000002 112.545 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 45' ' ' TRP . 96.4 t -117.85 151.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.887 1.069 . . . . 35.770000000000003 113.887 -178.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.416 ' N ' HG12 ' A' ' 44' ' ' VAL . 98.6 m95 -104.42 122.03 44.65 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 106.946 -1.502 . . . . 29.23 106.946 178.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -104.61 125.2 34.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.254 -0.43 . . . . 32.920000000000002 110.956 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -71.61 128.58 14.52 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.286 1.324 . . . . 23.030000000000001 111.955 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 m -136.47 170.63 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.25 0.548 . . . . 22.940000000000001 110.539 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -136.83 133.21 35.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.035 -2.58 . . . . 30.649999999999999 104.035 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.7 tt -93.08 136.74 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 118.943 -1.103 . . . . 22.239999999999998 108.852 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -137.47 170.8 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 31.02 110.347 -178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MSE . . . . . . . . . . . . . 30.5 tpp -124.97 121.36 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 43.579999999999998 111.849 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.85 -108.98 2.65 Favored Glycine 0 N--CA 1.453 -0.228 0 N-CA-C 103.516 -3.834 . . . . 38.289999999999999 103.516 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -84.81 -22.68 29.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 103.915 -2.624 . . . . 77.040000000000006 103.915 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -155.94 163.37 39.83 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.471 -1.241 . . . . 54.409999999999997 107.911 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -61.6 138.95 58.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.843 0.312 . . . . 33.539999999999999 111.843 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -151.42 163.87 38.01 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.893 -0.41 . . . . 28.59 109.893 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.41 136.15 49.29 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.101 -0.64 . . . . 24.350000000000001 112.023 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.77 130.42 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 103.289 -2.856 . . . . 21.879999999999999 103.289 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.08 -10.44 27.02 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 115.805 1.082 . . . . 24.399999999999999 115.805 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.0 tp -159.72 130.94 5.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.928 0.395 . . . . 31.300000000000001 110.706 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -89.76 116.52 27.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.689 -0.856 . . . . 44.100000000000001 108.689 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.92 153.07 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 25.579999999999998 109.892 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -67.04 -35.0 78.92 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.013 0.435 . . . . 27.719999999999999 110.451 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HD3' ' OD2' ' A' ' 67' ' ' ASP . 5.1 ptp180 -163.38 159.74 22.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.742 -0.836 . . . . 41.299999999999997 108.742 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.53 -20.56 29.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.315 1.228 . . . . 23.329999999999998 114.315 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.626 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 3.1 m-20 -58.41 124.63 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 117.106 2.262 . . . . 31.539999999999999 117.106 -177.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.47 1.2 89.35 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 118.469 2.147 . . . . 20.640000000000001 118.469 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.95 147.46 53.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.968 0.884 . . . . 16.920000000000002 110.295 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -90.96 128.86 36.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 104.712 -2.329 . . . . 61.759999999999998 104.712 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.97 167.42 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 112.822 0.675 . . . . 19.390000000000001 112.822 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -146.11 141.44 27.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.739 -1.119 . . . . 43.609999999999999 109.265 -179.304 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MSE . . . . . 0.593 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 58.1 mtp . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.28 -1.343 . . . . 65.959999999999994 109.835 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 111.993 0.368 . . . . 56.340000000000003 111.993 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -99.22 149.21 23.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.477 -0.934 . . . . 54.119999999999997 108.477 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.06 -167.6 24.82 Favored Glycine 0 CA--C 1.506 -0.472 0 C-N-CA 119.428 -1.368 . . . . 18.739999999999998 111.627 -179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 66.6 p -122.74 139.21 54.22 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.973 0.416 . . . . 28.57 110.161 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.7 tp -87.78 132.53 34.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.303 -0.862 . . . . 19.09 108.776 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -149.99 156.17 41.23 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.936 -0.305 . . . . 20.449999999999999 111.149 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -83.54 122.23 28.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.488 -0.56 . . . . 32.119999999999997 109.488 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -95.59 101.52 13.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 24.949999999999999 111.991 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 52.9 p -62.11 -16.61 53.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 114.039 1.125 . . . . 31.059999999999999 114.039 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -77.4 -20.46 54.63 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.687 -0.805 . . . . 54.289999999999999 111.383 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -128.41 -13.16 4.95 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 115.751 1.76 . . . . 22.960000000000001 115.751 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.94 12.09 84.94 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.024 -1.084 . . . . 22.300000000000001 111.306 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -115.11 168.62 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 37.950000000000003 110.27 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.01 148.09 22.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 102.724 -3.065 . . . . 27.109999999999999 102.724 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -138.0 171.61 14.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.723 -1.214 . . . . 32.350000000000001 107.723 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.4 mt -122.2 131.55 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 109.675 -0.491 . . . . 18.199999999999999 109.675 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' B' ' 24' ' ' LEU . 11.0 ttm-85 -101.78 113.4 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 105.842 -1.91 . . . . 43.93 105.842 177.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -86.21 -42.82 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.447 0.536 . . . . 31.670000000000002 112.447 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -133.88 -175.69 3.92 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.097 -0.705 . . . . 51.18 109.097 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.492 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 32.1 tp -51.0 -43.8 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.258 -0.977 . . . . 24.77 112.279 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -128.33 30.67 5.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 114.089 1.144 . . . . 26.879999999999999 114.089 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -119.61 125.74 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.976 -0.749 . . . . 28.199999999999999 108.976 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -127.92 152.53 47.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 27.460000000000001 111.628 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.64 -39.1 80.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.183 -0.303 . . . . 36.859999999999999 110.183 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.38 11.42 17.76 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 115.773 1.069 . . . . 32.289999999999999 115.773 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.07 120.72 4.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.69 -1.243 . . . . 22.98 113.026 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 75.4 mt -84.02 142.5 30.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.489 0.552 . . . . 20.649999999999999 112.489 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -112.1 157.71 20.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 37.799999999999997 110.034 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 67.6 m -53.52 134.61 40.77 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.346 -0.388 . . . . 30.379999999999999 110.34 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.73 -14.71 63.77 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 116.241 1.256 . . . . 26.539999999999999 116.241 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.3 139.31 45.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.721 0.76 . . . . 39.859999999999999 110.937 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 99' ' ' HOH . 26.6 p -112.75 155.0 25.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 114.188 1.181 . . . . 53.960000000000001 114.188 -178.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -170.51 176.33 4.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.02 -1.104 . . . . 23.059999999999999 108.02 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.634 ' HB2' ' HG2' ' B' ' 72' ' ' ARG . 73.6 m-20 -106.42 148.54 27.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.884 -0.326 . . . . 27.920000000000002 110.607 179.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 74.2 t -116.36 135.39 56.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 106.37 -1.715 . . . . 20.199999999999999 106.37 177.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.485 ' NZ ' ' CD1' ' B' ' 45' ' ' TRP . 0.3 OUTLIER -81.81 119.4 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.525 -0.47 . . . . 52.939999999999998 111.088 179.801 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' B' ' 42' ' ' LYS . 67.3 t -125.77 112.09 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 103.41 -2.811 . . . . 40.350000000000001 103.41 178.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' B' ' 41' ' ' VAL . 49.8 mmtt 66.83 -118.62 0.26 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 106.659 -1.608 . . . . 78.290000000000006 106.659 -177.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -123.63 40.99 3.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.163 -0.68 . . . . 58.189999999999998 109.163 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 79.3 t -139.24 148.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.21 -0.905 . . . . 52.159999999999997 109.241 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.488 ' CE3' ' HD3' ' B' ' 72' ' ' ARG . 43.0 m0 -101.2 119.39 38.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.628 -0.878 . . . . 72.230000000000004 108.628 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.25 124.11 44.26 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-O 120.98 0.419 . . . . 28.879999999999999 111.628 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.71 131.4 17.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 120.092 0.528 . . . . 25.649999999999999 112.45 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.84 170.82 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.715 0.769 . . . . 18.239999999999998 111.178 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -141.08 128.55 21.25 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 103.012 -2.959 . . . . 25.73 103.012 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 tt -87.83 137.33 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 119.455 -0.898 . . . . 20.260000000000002 110.099 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -137.26 170.64 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 30.690000000000001 109.969 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' MSE . . . . . 0.681 ' HE3' ' O ' ' B' ' 53' ' ' GLY . 8.8 tpt -118.8 121.4 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.104 -0.498 . . . . 41.619999999999997 110.391 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.681 ' O ' ' HE3' ' B' ' 52' ' ' MSE . . . -116.21 -113.72 2.81 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 104.469 -3.452 . . . . 37.759999999999998 104.469 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -78.2 -25.57 47.11 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 103.16 -2.904 . . . . 54.619999999999997 103.16 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.541 ' HA ' ' HE1' ' B' ' 52' ' ' MSE . 23.9 t70 -156.72 173.24 17.26 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.371 -1.344 . . . . 59.600000000000001 107.371 178.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.99 142.4 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 28.370000000000001 111.401 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -154.93 163.74 39.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.152 -1.055 . . . . 30.949999999999999 108.152 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 79.7 mt -110.83 128.15 55.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.651 0.982 . . . . 24.879999999999999 113.651 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -84.48 121.62 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 103.577 -2.749 . . . . 27.289999999999999 103.577 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.65 -12.3 13.63 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.4 -0.905 . . . . 29.239999999999998 112.511 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -155.38 118.19 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.611 0.597 . . . . 32.829999999999998 112.611 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.39 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.286 -0.635 . . . . 70.060000000000002 109.286 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.3 148.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 56.490000000000002 109.64 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -56.13 -41.99 76.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 48.18 111.908 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' B' ' 110' ' ' HOH . 12.9 ptm180 -152.92 148.63 27.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.289999999999999 110.91 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mp -80.41 -23.84 40.09 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.594 1.702 . . . . 31.629999999999999 115.594 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -53.81 127.47 26.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 116.647 2.091 . . . . 33.969999999999999 116.647 -177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 -0.24 89.73 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 118.533 2.173 . . . . 19.050000000000001 118.533 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.08 145.43 56.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.656 -0.817 . . . . 25.34 109.938 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -88.42 133.72 34.03 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 104.553 -2.388 . . . . 63.189999999999998 104.553 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.47 171.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.259 0.466 . . . . 19.120000000000001 112.259 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.634 ' HG2' ' HB2' ' B' ' 38' ' ' ASP . 9.0 ptm180 -150.53 145.74 26.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.643 -0.708 . . . . 72.260000000000005 109.464 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' MSE . . . . . . . . . . . . . 51.5 mtp . . . . . 0 C--O 1.246 0.893 0 CA-C-O 116.637 -1.649 . . . . 49.829999999999998 107.45 178.481 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . 0.483 ' O ' ' HB2' ' B' ' 36' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . 0.421 ' O ' ' NH2' ' B' ' 65' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_