data_1riy_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 1riy _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 ' 1' ' ' MET . . . . . . . . . . . . . 43.8 ttm . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 119.472 -0.299 . . . . 27.059999999999999 111.163 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -97.36 179.42 4.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 112.492 0.553 . . . . 17.57 112.492 172.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -61.65 -43.62 98.51 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 116.387 -0.369 . . . . 29.260000000000002 110.706 -175.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -56.99 -45.56 82.89 Favored 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 115.116 1.524 . . . . 21.609999999999999 115.116 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.48 -36.08 81.86 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.733 0.813 . . . . 31.98 110.394 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.48 -49.02 77.05 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.562 -0.745 . . . . 18.73 109.7 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.38 -48.04 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.578 -0.701 . . . . 18.219999999999999 109.936 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.81 -45.8 91.19 Favored 'General case' 0 C--O 1.252 1.199 0 N-CA-C 114.281 1.215 . . . . 29.030000000000001 114.281 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . 0.554 ' NH1' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -66.57 -41.22 88.9 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 122.267 -0.271 . . . . 47.270000000000003 110.806 179.505 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -66.79 -42.45 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 120.049 -0.661 . . . . 17.789999999999999 111.821 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.01 90.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 120.193 -0.603 . . . . 18.289999999999999 109.912 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -63.54 -48.02 79.22 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.13 0.49 . . . . 39.420000000000002 111.724 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -67.55 -39.38 84.96 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.258 0.466 . . . . 37.259999999999998 112.258 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.15 -11.33 55.33 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.702 1.001 . . . . 17.100000000000001 113.702 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.05 37.48 93.16 Favored Glycine 0 N--CA 1.468 0.786 0 CA-C-O 122.421 1.012 . . . . 18.449999999999999 112.747 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.76 155.64 26.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.847 0.832 . . . . 16.899999999999999 110.961 -176.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.9 142.32 51.14 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 107.374 -1.343 . . . . 24.32 107.374 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -54.83 -40.29 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.63 0.604 . . . . 37.159999999999997 112.63 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . . . -61.62 -34.49 75.76 Favored 'General case' 0 C--O 1.253 1.268 0 C-N-CA 119.831 -0.748 . . . . 30.550000000000001 112.111 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.52 -38.15 59.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 120.721 -0.392 . . . . 29.329999999999998 111.438 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.79 -45.01 98.37 Favored 'Isoleucine or valine' 0 C--O 1.248 0.984 0 N-CA-C 108.175 -1.046 . . . . 18.489999999999998 108.175 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -57.38 -44.89 84.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 118.423 -1.311 . . . . 24.550000000000001 112.977 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.43 -49.85 75.93 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 120.859 0.361 . . . . 27.399999999999999 110.942 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.25 -43.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.031 -0.986 . . . . 21.510000000000002 111.207 -175.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.06 -49.32 78.34 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.851 0.834 . . . . 17.829999999999998 110.198 175.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.37 -36.79 78.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.77 0.795 . . . . 24.190000000000001 112.759 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.5 m -70.36 -38.21 74.73 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.718 -0.674 . . . . 16.030000000000001 109.968 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.7 mt -61.19 -47.46 93.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.837 0.827 . . . . 15.800000000000001 109.558 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.84 -42.78 99.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.364 -0.835 . . . . 21.539999999999999 111.752 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -62.53 -41.97 99.22 Favored 'General case' 0 C--O 1.259 1.592 0 O-C-N 122.188 -0.32 . . . . 20.870000000000001 111.062 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.9 m -65.1 -41.22 95.18 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.504 -0.479 . . . . 18.43 112.291 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.0 -44.78 88.21 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 CA-C-O 121.922 0.868 . . . . 17.359999999999999 108.885 178.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -60.03 -47.57 85.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.307 -0.871 . . . . 21.859999999999999 111.843 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.24 -44.19 97.66 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.419 0.688 . . . . 40.539999999999999 109.188 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.74 98.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 119.981 -0.688 . . . . 18.359999999999999 111.674 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.1 -41.71 97.17 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 109.644 -0.502 . . . . 21.960000000000001 109.644 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -28.09 68.81 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 116.212 -0.449 . . . . 22.629999999999999 111.17 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -90.22 6.4 42.97 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.029 0.531 . . . . 36.780000000000001 110.503 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.19 13.27 83.44 Favored Glycine 0 C--O 1.265 2.057 0 N-CA-C 116.758 1.463 . . . . 23.059999999999999 116.758 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -82.04 164.81 21.15 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 120.872 -0.331 . . . . 35.369999999999997 110.962 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . . . -102.0 142.32 33.46 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 125.153 1.533 . . . . 29.989999999999998 106.932 173.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.46 106.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 105.32 -2.104 . . . . 22.859999999999999 105.32 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -109.88 119.78 40.42 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 124.349 1.03 . . . . 30.93 109.527 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.5 mt -113.92 107.59 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 123.847 0.717 . . . . 22.73 110.118 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 p -50.92 131.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 28.170000000000002 111.349 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.5 90.02 Favored Glycine 0 C--O 1.249 1.041 0 C-N-CA 120.254 -0.974 . . . . 26.969999999999999 115.131 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -131.42 -71.2 0.57 Allowed 'General case' 0 C--O 1.207 -1.153 0 CA-C-N 117.669 0.734 . . . . 23.760000000000002 109.696 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.55 -172.5 44.15 Favored Glycine 0 C--O 1.249 1.045 0 CA-C-O 118.867 -0.963 . . . . 20.440000000000001 114.047 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 87.8 p -126.64 141.58 51.81 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 117.528 0.664 . . . . 27.390000000000001 109.942 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.41 132.11 52.82 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 114.28 -1.327 . . . . 24.460000000000001 107.995 173.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -154.38 159.37 41.1 Favored 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 121.687 -0.633 . . . . 41.719999999999999 109.361 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.7 t -99.04 137.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.261 -1.385 . . . . 29.219999999999999 107.261 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -129.57 162.03 29.17 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.995 -0.742 . . . . 36.060000000000002 108.995 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 0 C-N-CA 120.602 -0.439 . . . . 38.740000000000002 110.08 177.55 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.472 -0.566 . . . . 33.310000000000002 109.472 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -76.79 138.31 39.8 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 124.278 0.986 . . . . 32.350000000000001 112.247 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.52 149.48 60.23 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 121.726 0.774 . . . . 29.0 110.349 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.17 144.65 26.76 Favored 'Trans proline' 0 CA--C 1.501 -1.162 0 C-N-CA 121.293 1.329 . . . . 25.370000000000001 109.213 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -140.59 148.39 40.87 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 124.656 1.223 . . . . 37.490000000000002 109.067 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -122.29 126.64 48.56 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 108.81 -0.811 . . . . 23.5 108.81 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . . . -111.72 110.36 54.93 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 108.745 -0.835 . . . . 25.379999999999999 108.745 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.38 140.95 65.99 Favored 'Trans proline' 0 CA--C 1.496 -1.377 0 C-N-CA 120.854 1.036 . . . . 26.010000000000002 109.904 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.3 174.88 53.23 Favored Glycine 0 N--CA 1.434 -1.453 0 O-C-N 124.015 0.822 . . . . 27.579999999999998 113.024 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -60.56 -52.94 63.04 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 112.608 0.596 . . . . 31.43 112.608 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.8 70.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 120.622 -0.431 . . . . 32.090000000000003 112.089 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.41 -41.94 96.35 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.831 -0.543 . . . . 31.699999999999999 111.474 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' CE ' ' O ' ' A' ' 122' ' ' HOH . 79.4 mttt -59.72 -30.06 68.55 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.5 -0.318 . . . . 37.299999999999997 110.74 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . . . -84.28 -32.1 24.57 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 116.097 -0.501 . . . . 38.240000000000002 111.554 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -68.52 -26.76 65.6 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 116.259 -0.428 . . . . 43.829999999999998 110.95 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.9 4.28 9.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 N-CA-C 113.294 0.85 . . . . 40.100000000000001 113.294 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 110.003 -0.369 . . . . 43.25 110.003 -178.371 . . . . . . . . 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 ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.467 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.8 ttm . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 119.472 -0.299 . . . . 27.059999999999999 111.163 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -97.36 179.42 4.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 112.492 0.553 . . . . 17.57 112.492 172.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -61.65 -43.62 98.51 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 116.387 -0.369 . . . . 29.260000000000002 110.706 -175.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -56.99 -45.56 82.89 Favored 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 115.116 1.524 . . . . 21.609999999999999 115.116 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.48 -36.08 81.86 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.733 0.813 . . . . 31.98 110.394 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.48 -49.02 77.05 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.562 -0.745 . . . . 18.73 109.7 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.38 -48.04 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.578 -0.701 . . . . 18.219999999999999 109.936 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.81 -45.8 91.19 Favored 'General case' 0 C--O 1.252 1.199 0 N-CA-C 114.281 1.215 . . . . 29.030000000000001 114.281 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . 1.032 HH11 ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -66.57 -41.22 88.9 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 122.267 -0.271 . . . . 47.270000000000003 110.806 179.505 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -66.79 -42.45 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 120.049 -0.661 . . . . 17.789999999999999 111.821 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.01 90.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 120.193 -0.603 . . . . 18.289999999999999 109.912 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -63.54 -48.02 79.22 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.13 0.49 . . . . 39.420000000000002 111.724 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -67.55 -39.38 84.96 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.258 0.466 . . . . 37.259999999999998 112.258 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.15 -11.33 55.33 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.702 1.001 . . . . 17.100000000000001 113.702 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.05 37.48 93.16 Favored Glycine 0 N--CA 1.468 0.786 0 CA-C-O 122.421 1.012 . . . . 18.449999999999999 112.747 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.76 155.64 26.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.847 0.832 . . . . 16.899999999999999 110.961 -176.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.9 142.32 51.14 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 107.374 -1.343 . . . . 24.32 107.374 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -54.83 -40.29 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.63 0.604 . . . . 37.159999999999997 112.63 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . . . -61.62 -34.49 75.76 Favored 'General case' 0 C--O 1.253 1.268 0 C-N-CA 119.831 -0.748 . . . . 30.550000000000001 112.111 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.52 -38.15 59.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 120.721 -0.392 . . . . 29.329999999999998 111.438 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.79 -45.01 98.37 Favored 'Isoleucine or valine' 0 C--O 1.248 0.984 0 N-CA-C 108.175 -1.046 . . . . 18.489999999999998 108.175 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -57.38 -44.89 84.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 118.423 -1.311 . . . . 24.550000000000001 112.977 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.43 -49.85 75.93 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 120.859 0.361 . . . . 27.399999999999999 110.942 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.25 -43.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.031 -0.986 . . . . 21.510000000000002 111.207 -175.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.06 -49.32 78.34 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.851 0.834 . . . . 17.829999999999998 110.198 175.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.37 -36.79 78.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.77 0.795 . . . . 24.190000000000001 112.759 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.5 m -70.36 -38.21 74.73 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.718 -0.674 . . . . 16.030000000000001 109.968 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.7 mt -61.19 -47.46 93.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.837 0.827 . . . . 15.800000000000001 109.558 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.84 -42.78 99.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.364 -0.835 . . . . 21.539999999999999 111.752 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -62.53 -41.97 99.22 Favored 'General case' 0 C--O 1.259 1.592 0 O-C-N 122.188 -0.32 . . . . 20.870000000000001 111.062 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.9 m -65.1 -41.22 95.18 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.504 -0.479 . . . . 18.43 112.291 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.0 -44.78 88.21 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 CA-C-O 121.922 0.868 . . . . 17.359999999999999 108.885 178.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -60.03 -47.57 85.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.307 -0.871 . . . . 21.859999999999999 111.843 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.24 -44.19 97.66 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.419 0.688 . . . . 40.539999999999999 109.188 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.74 98.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 119.981 -0.688 . . . . 18.359999999999999 111.674 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.1 -41.71 97.17 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 109.644 -0.502 . . . . 21.960000000000001 109.644 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -28.09 68.81 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 116.212 -0.449 . . . . 22.629999999999999 111.17 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -90.22 6.4 42.97 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.029 0.531 . . . . 36.780000000000001 110.503 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.19 13.27 83.44 Favored Glycine 0 C--O 1.265 2.057 0 N-CA-C 116.758 1.463 . . . . 23.059999999999999 116.758 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -82.04 164.81 21.15 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 120.872 -0.331 . . . . 35.369999999999997 110.962 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . . . -102.0 142.32 33.46 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 125.153 1.533 . . . . 29.989999999999998 106.932 173.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.46 106.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 105.32 -2.104 . . . . 22.859999999999999 105.32 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -109.88 119.78 40.42 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 124.349 1.03 . . . . 30.93 109.527 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.5 mt -113.92 107.59 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 123.847 0.717 . . . . 22.73 110.118 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 p -50.92 131.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 28.170000000000002 111.349 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.5 90.02 Favored Glycine 0 C--O 1.249 1.041 0 C-N-CA 120.254 -0.974 . . . . 26.969999999999999 115.131 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -131.42 -71.2 0.57 Allowed 'General case' 0 C--O 1.207 -1.153 0 CA-C-N 117.669 0.734 . . . . 23.760000000000002 109.696 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.55 -172.5 44.15 Favored Glycine 0 C--O 1.249 1.045 0 CA-C-O 118.867 -0.963 . . . . 20.440000000000001 114.047 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 87.8 p -126.64 141.58 51.81 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 117.528 0.664 . . . . 27.390000000000001 109.942 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.41 132.11 52.82 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 114.28 -1.327 . . . . 24.460000000000001 107.995 173.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -154.38 159.37 41.1 Favored 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 121.687 -0.633 . . . . 41.719999999999999 109.361 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.7 t -99.04 137.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.261 -1.385 . . . . 29.219999999999999 107.261 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -129.57 162.03 29.17 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.995 -0.742 . . . . 36.060000000000002 108.995 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 0 C-N-CA 120.602 -0.439 . . . . 38.740000000000002 110.08 177.55 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.472 -0.566 . . . . 33.310000000000002 109.472 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -76.79 138.31 39.8 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 124.278 0.986 . . . . 32.350000000000001 112.247 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.52 149.48 60.23 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 121.726 0.774 . . . . 29.0 110.349 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.17 144.65 26.76 Favored 'Trans proline' 0 CA--C 1.501 -1.162 0 C-N-CA 121.293 1.329 . . . . 25.370000000000001 109.213 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -140.59 148.39 40.87 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 124.656 1.223 . . . . 37.490000000000002 109.067 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -122.29 126.64 48.56 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 108.81 -0.811 . . . . 23.5 108.81 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . . . -111.72 110.36 54.93 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 108.745 -0.835 . . . . 25.379999999999999 108.745 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.38 140.95 65.99 Favored 'Trans proline' 0 CA--C 1.496 -1.377 0 C-N-CA 120.854 1.036 . . . . 26.010000000000002 109.904 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.3 174.88 53.23 Favored Glycine 0 N--CA 1.434 -1.453 0 O-C-N 124.015 0.822 . . . . 27.579999999999998 113.024 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -60.56 -52.94 63.04 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 112.608 0.596 . . . . 31.43 112.608 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.8 70.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 120.622 -0.431 . . . . 32.090000000000003 112.089 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.41 -41.94 96.35 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.831 -0.543 . . . . 31.699999999999999 111.474 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' A' ' 122' ' ' HOH . 79.4 mttt -59.72 -30.06 68.55 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.5 -0.318 . . . . 37.299999999999997 110.74 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . . . -84.28 -32.1 24.57 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 116.097 -0.501 . . . . 38.240000000000002 111.554 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -68.52 -26.76 65.6 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 116.259 -0.428 . . . . 43.829999999999998 110.95 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.9 4.28 9.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 N-CA-C 113.294 0.85 . . . . 40.100000000000001 113.294 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 110.003 -0.369 . . . . 43.25 110.003 -178.371 . . . . . . . . 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 ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.541 ' O ' ' HE3' ' A' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.8 ttm . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 119.472 -0.299 . . . . 27.059999999999999 111.163 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -97.36 179.42 4.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 112.492 0.553 . . . . 17.57 112.492 172.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -61.65 -43.62 98.51 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 116.387 -0.369 . . . . 29.260000000000002 110.706 -175.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -56.99 -45.56 82.89 Favored 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 115.116 1.524 . . . . 21.609999999999999 115.116 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.48 -36.08 81.86 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 123.733 0.813 . . . . 31.98 110.394 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.48 -49.02 77.05 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.562 -0.745 . . . . 18.73 109.7 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.38 -48.04 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.578 -0.701 . . . . 18.219999999999999 109.936 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.81 -45.8 91.19 Favored 'General case' 0 C--O 1.252 1.199 0 N-CA-C 114.281 1.215 . . . . 29.030000000000001 114.281 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.032 HH11 ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -66.57 -41.22 88.9 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 122.267 -0.271 . . . . 47.270000000000003 110.806 179.505 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -66.79 -42.45 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 120.049 -0.661 . . . . 17.789999999999999 111.821 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.01 90.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 120.193 -0.603 . . . . 18.289999999999999 109.912 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -63.54 -48.02 79.22 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.13 0.49 . . . . 39.420000000000002 111.724 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -67.55 -39.38 84.96 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 112.258 0.466 . . . . 37.259999999999998 112.258 -175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.15 -11.33 55.33 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.702 1.001 . . . . 17.100000000000001 113.702 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.05 37.48 93.16 Favored Glycine 0 N--CA 1.468 0.786 0 CA-C-O 122.421 1.012 . . . . 18.449999999999999 112.747 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.76 155.64 26.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.847 0.832 . . . . 16.899999999999999 110.961 -176.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.9 142.32 51.14 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 107.374 -1.343 . . . . 24.32 107.374 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -54.83 -40.29 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.63 0.604 . . . . 37.159999999999997 112.63 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . . . -61.62 -34.49 75.76 Favored 'General case' 0 C--O 1.253 1.268 0 C-N-CA 119.831 -0.748 . . . . 30.550000000000001 112.111 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.52 -38.15 59.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 120.721 -0.392 . . . . 29.329999999999998 111.438 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.79 -45.01 98.37 Favored 'Isoleucine or valine' 0 C--O 1.248 0.984 0 N-CA-C 108.175 -1.046 . . . . 18.489999999999998 108.175 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -57.38 -44.89 84.82 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 118.423 -1.311 . . . . 24.550000000000001 112.977 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.43 -49.85 75.93 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 120.859 0.361 . . . . 27.399999999999999 110.942 179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.25 -43.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.031 -0.986 . . . . 21.510000000000002 111.207 -175.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.06 -49.32 78.34 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.851 0.834 . . . . 17.829999999999998 110.198 175.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.37 -36.79 78.86 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.77 0.795 . . . . 24.190000000000001 112.759 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.5 m -70.36 -38.21 74.73 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-N 115.718 -0.674 . . . . 16.030000000000001 109.968 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.7 mt -61.19 -47.46 93.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 CA-C-O 121.837 0.827 . . . . 15.800000000000001 109.558 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.84 -42.78 99.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.364 -0.835 . . . . 21.539999999999999 111.752 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -62.53 -41.97 99.22 Favored 'General case' 0 C--O 1.259 1.592 0 O-C-N 122.188 -0.32 . . . . 20.870000000000001 111.062 177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.9 m -65.1 -41.22 95.18 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.504 -0.479 . . . . 18.43 112.291 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.0 -44.78 88.21 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 CA-C-O 121.922 0.868 . . . . 17.359999999999999 108.885 178.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 m -60.03 -47.57 85.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.307 -0.871 . . . . 21.859999999999999 111.843 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.24 -44.19 97.66 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.419 0.688 . . . . 40.539999999999999 109.188 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.74 98.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 119.981 -0.688 . . . . 18.359999999999999 111.674 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.1 -41.71 97.17 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 109.644 -0.502 . . . . 21.960000000000001 109.644 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.05 -28.09 68.81 Favored 'General case' 0 C--O 1.254 1.321 0 CA-C-N 116.212 -0.449 . . . . 22.629999999999999 111.17 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -90.22 6.4 42.97 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.029 0.531 . . . . 36.780000000000001 110.503 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.19 13.27 83.44 Favored Glycine 0 C--O 1.265 2.057 0 N-CA-C 116.758 1.463 . . . . 23.059999999999999 116.758 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -82.04 164.81 21.15 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 120.872 -0.331 . . . . 35.369999999999997 110.962 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . . . -102.0 142.32 33.46 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 125.153 1.533 . . . . 29.989999999999998 106.932 173.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.46 106.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 105.32 -2.104 . . . . 22.859999999999999 105.32 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -109.88 119.78 40.42 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 124.349 1.03 . . . . 30.93 109.527 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.5 mt -113.92 107.59 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 123.847 0.717 . . . . 22.73 110.118 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 p -50.92 131.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 28.170000000000002 111.349 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 0.5 90.02 Favored Glycine 0 C--O 1.249 1.041 0 C-N-CA 120.254 -0.974 . . . . 26.969999999999999 115.131 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -131.42 -71.2 0.57 Allowed 'General case' 0 C--O 1.207 -1.153 0 CA-C-N 117.669 0.734 . . . . 23.760000000000002 109.696 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.55 -172.5 44.15 Favored Glycine 0 C--O 1.249 1.045 0 CA-C-O 118.867 -0.963 . . . . 20.440000000000001 114.047 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 87.8 p -126.64 141.58 51.81 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 117.528 0.664 . . . . 27.390000000000001 109.942 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.41 132.11 52.82 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 114.28 -1.327 . . . . 24.460000000000001 107.995 173.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -154.38 159.37 41.1 Favored 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 121.687 -0.633 . . . . 41.719999999999999 109.361 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.7 t -99.04 137.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 107.261 -1.385 . . . . 29.219999999999999 107.261 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -129.57 162.03 29.17 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.995 -0.742 . . . . 36.060000000000002 108.995 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 0 C-N-CA 120.602 -0.439 . . . . 38.740000000000002 110.08 177.55 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.472 -0.566 . . . . 33.310000000000002 109.472 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -76.79 138.31 39.8 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 124.278 0.986 . . . . 32.350000000000001 112.247 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.52 149.48 60.23 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 121.726 0.774 . . . . 29.0 110.349 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.17 144.65 26.76 Favored 'Trans proline' 0 CA--C 1.501 -1.162 0 C-N-CA 121.293 1.329 . . . . 25.370000000000001 109.213 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -140.59 148.39 40.87 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 124.656 1.223 . . . . 37.490000000000002 109.067 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -122.29 126.64 48.56 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 108.81 -0.811 . . . . 23.5 108.81 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . . . -111.72 110.36 54.93 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 108.745 -0.835 . . . . 25.379999999999999 108.745 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.38 140.95 65.99 Favored 'Trans proline' 0 CA--C 1.496 -1.377 0 C-N-CA 120.854 1.036 . . . . 26.010000000000002 109.904 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.3 174.88 53.23 Favored Glycine 0 N--CA 1.434 -1.453 0 O-C-N 124.015 0.822 . . . . 27.579999999999998 113.024 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -60.56 -52.94 63.04 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 112.608 0.596 . . . . 31.43 112.608 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.8 70.5 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 120.622 -0.431 . . . . 32.090000000000003 112.089 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.41 -41.94 96.35 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.831 -0.543 . . . . 31.699999999999999 111.474 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' A' ' 122' ' ' HOH . 79.4 mttt -59.72 -30.06 68.55 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.5 -0.318 . . . . 37.299999999999997 110.74 179.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . . . -84.28 -32.1 24.57 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 116.097 -0.501 . . . . 38.240000000000002 111.554 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -68.52 -26.76 65.6 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 116.259 -0.428 . . . . 43.829999999999998 110.95 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.9 4.28 9.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 N-CA-C 113.294 0.85 . . . . 40.100000000000001 113.294 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 110.003 -0.369 . . . . 43.25 110.003 -178.371 . . . . . . . . 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 ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.541 ' O ' ' HE3' ' A' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_