data_6hi3_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6hi3 _Structure_validation_residue.Date_analyzed 2019-02-15 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 ' 979' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 111.962 0.356 . . . . 82.9 111.962 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 980' ' ' MET . . . . . . . . . . . . . . . -77.93 -32.35 51.53 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.063 -0.655 . . . . 85.19 111.638 173.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.07 -35.91 64.29 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.666 -0.813 . . . . 91.78 111.842 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 982' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -70.0 -28.46 65.53 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.668 -0.413 . . . . 75.63 111.418 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . . . -75.14 -27.73 59.86 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.463 -0.495 . . . . 64.58 111.393 174.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 984' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -62.05 -40.06 94.48 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 122.107 -0.371 . . . . 75.14 111.155 171.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 985' ' ' THR . . . . . . . . . . . . . 1.4 t -79.73 -27.04 40.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 118.478 -1.289 . . . . 64.29 111.055 -171.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 986' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -71.72 -38.12 70.53 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.882 0.31 . . . . 59.2 111.046 170.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 987' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -57.65 -45.52 85.39 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.835 -0.346 . . . . 65.37 110.966 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 988' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.17 -42.77 95.68 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.7 -0.8 . . . . 60.51 110.394 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 989' ' ' LEU . . . . . . . . . . . . . 60.1 tp -55.48 -50.56 69.58 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.24 -0.584 . . . . 53.23 111.016 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 990' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -61.06 -43.88 98.22 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.825 -0.35 . . . . 56.39 111.216 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.25 -42.89 75.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.623 -0.431 . . . . 52.93 110.133 177.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.43 -50.13 72.7 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.995 -0.441 . . . . 51.73 110.835 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 993' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.56 -27.92 69.51 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.386 -0.926 . . . . 51.35 111.325 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 994' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -74.17 -41.53 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.923 -0.711 . . . . 60.64 110.568 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -64.55 -50.24 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.591 0.234 . . . . 56.54 110.717 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 996' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.08 -52.43 29.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 O-C-N 121.954 -0.466 . . . . 50.98 110.976 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 52.7 m -62.09 -39.82 93.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.064 -0.654 . . . . 49.81 110.967 -173.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 998' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -55.3 -25.98 37.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.294 -0.563 . . . . 55.26 111.044 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 999' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -91.14 -36.35 14.02 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 112.427 0.529 . . . . 69.34 112.427 -166.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 41.9 mt -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 123.927 0.767 . . . . 52.54 110.354 161.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1001 ' ' ALA . . . . . . . . . . . . . . . -73.4 -27.53 61.51 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.956 0.724 . . . . 56.61 112.956 -168.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1002 ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.48 6.31 6.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 118.637 0.653 . . . . 57.82 112.703 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.05 124.96 34.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.921 -1.14 . . . . 57.62 107.921 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1004 ' ' LYS . . . . . . . . . . . . . . . -51.25 -40.27 58.48 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.34 0.4 . . . . 61.53 112.043 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1005 ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' 1302 ' ' HOH . 86.6 mtm180 -56.77 -26.83 58.5 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 112.939 0.718 . . . . 62.81 112.939 -177.819 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1006 ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -111.32 10.75 21.62 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.713 0.635 . . . . 60.69 112.713 -172.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1007 ' ' ARG . . . . . 0.488 ' O ' ' OG1' ' A' 1010 ' ' THR . . . -52.45 -30.32 29.11 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.19 0.441 . . . . 63.76 112.19 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1008 ' ' VAL . . . . . . . . . . . . . 12.0 m -75.65 -11.47 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 121.855 -0.528 . . . . 63.24 111.745 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1009 ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -102.68 3.36 36.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.61 0.596 . . . . 57.28 112.61 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1010 ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' 1007 ' ' ARG . 4.6 p -77.12 -46.58 23.03 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.418 0.287 . . . . 59.74 111.773 -171.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1011 ' ' LYS . . . . . . . . . . . . . . . -119.81 157.59 52.02 Favored Pre-proline 0 C--O 1.238 0.49 0 C-N-CA 123.583 0.753 . . . . 63.32 110.101 -172.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1012 ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.4 150.09 27.72 Favored 'Trans proline' 0 CA--C 1.521 -0.171 0 N-CA-C 110.332 -0.68 . . . . 75.06 110.332 172.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1013 ' ' VAL . . . . . . . . . . . . . 2.4 p -67.86 134.72 29.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 109.079 -0.712 . . . . 87.23 109.079 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . . . -65.47 128.98 94.25 Favored Pre-proline 0 C--O 1.242 0.686 0 C-N-CA 120.833 -0.347 . . . . 97.42 110.539 -174.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1015 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -60.83 -30.32 89.91 Favored 'Trans proline' 0 C--O 1.239 0.554 0 CA-C-N 118.682 0.565 . . . . 104.43 112.958 -177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1016 ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.29 -50.99 8.86 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.435 -0.506 . . . . 104.88 110.75 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . . . -57.41 -40.48 78.4 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 111.856 0.317 . . . . 103.39 111.856 -170.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1018 ' ' VAL . . . . . . . . . . . . . 48.2 t -128.32 88.78 51.68 Favored Pre-proline 0 C--O 1.241 0.638 0 N-CA-C 106.581 -1.637 . . . . 102.3 106.581 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1019 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -64.17 -47.23 6.57 Favored 'Trans proline' 0 C--O 1.242 0.682 0 N-CA-C 113.454 0.521 . . . . 101.96 113.454 -172.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1020 ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' 1020 ' ' ASP . 2.2 p30 -86.33 22.88 1.7 Allowed 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.457 0.91 . . . . 103.11 113.457 -169.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1021 ' ' TYR . . . . . . . . . . . . . 23.2 t80 -73.42 -50.16 23.2 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.092 0.86 . . . . 93.05 110.969 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1022 ' ' VAL . . . . . . . . . . . . . 4.0 p -65.38 -2.01 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.413 -0.588 . . . . 96.06 109.413 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 36.8 m -68.96 -66.19 0.61 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.485 -0.325 . . . . 96.74 111.002 169.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1024 ' ' VAL . . . . . . . . . . . . . 5.2 p -104.47 -7.05 9.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 N-CA-C 114.02 1.119 . . . . 89.2 114.02 -167.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1025 ' ' ILE . . . . . . . . . . . . . 1.2 mp -105.56 120.11 55.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 119.718 1.145 . . . . 80.67 108.652 173.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1026 ' ' LYS . . . . . . . . . . . . . . . -96.08 -21.58 17.87 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 114.401 1.259 . . . . 73.84 114.401 -170.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1027 ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -130.95 83.5 60.89 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 119.324 0.965 . . . . 69.76 109.405 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1028 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.49 144.57 99.53 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 110.349 -0.674 . . . . 66.71 110.349 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1029 ' ' MET . . . . . . . . . . . . . 7.0 tpp -148.36 143.34 26.78 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.235 -1.395 . . . . 64.06 107.235 -179.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1030 ' ' ASP . . . . . . . . . . . . . 3.8 p30 -161.13 159.45 29.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.675 -0.861 . . . . 63.98 108.675 -175.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.8 -34.16 71.18 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.276 -0.875 . . . . 57.85 112.748 -170.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1032 ' ' SER . . . . . . . . . . . . . 60.7 p -70.31 -36.93 74.63 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.939 -0.704 . . . . 56.63 111.675 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1033 ' ' SER . . . . . . . . . . . . . 45.3 m -66.09 -29.61 69.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 111.859 0.318 . . . . 60.87 111.859 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1034 ' ' VAL . . . . . . . . . . . . . 75.9 t -69.9 -38.88 76.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 119.423 -0.911 . . . . 56.77 109.778 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1035 ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.27 -40.29 88.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 119.838 -0.745 . . . . 62.18 110.298 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1036 ' ' SER . . . . . . . . . . . . . 23.5 m -68.09 -30.65 69.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.029 -0.419 . . . . 60.47 111.854 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1037 ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -73.12 -29.57 63.0 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 117.53 -1.668 . . . . 58.47 111.062 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1038 ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.4 -54.92 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.288 -0.965 . . . . 54.35 109.533 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1039 ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -57.05 -29.52 63.48 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.131 0.573 . . . . 62.94 111.626 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1040 ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.75 9.52 13.82 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.025 0.75 . . . . 62.09 113.025 173.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1041 ' ' HIS . . . . . . . . . . . . . 1.9 m80 61.52 32.53 18.75 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.759 0.824 . . . . 58.8 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1042 ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -79.13 -21.24 46.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 113.564 0.95 . . . . 63.4 113.564 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1043 ' ' TYR . . . . . 0.427 ' OH ' ' OD2' ' A' 1052 ' ' ASP . 53.6 m-85 -106.04 115.35 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 119.525 1.057 . . . . 52.65 109.834 -176.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.02 -13.83 18.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 113.007 0.743 . . . . 61.87 113.007 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 55.1 p -142.11 163.17 33.59 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.331 -0.988 . . . . 59.34 108.331 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1046 ' ' VAL . . . . . . . . . . . . . 67.6 t -65.68 -38.67 82.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-N 115.28 -0.873 . . . . 60.25 110.547 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1047 ' ' LYS . . . . . . . . . . . . . 3.3 mptt -53.51 -41.11 66.0 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.445 -0.502 . . . . 77.94 110.907 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1048 ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -67.16 -37.28 83.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.271 -0.572 . . . . 68.56 110.813 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1049 ' ' TYR . . . . . . . . . . . . . 48.6 t80 -61.42 -51.08 70.23 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.784 -0.766 . . . . 59.59 110.359 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1050 ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.7 -28.59 70.05 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 111.934 0.346 . . . . 61.56 111.934 -174.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . . . -57.51 -32.47 67.06 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.707 -0.797 . . . . 59.59 110.574 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1052 ' ' ASP . . . . . 0.427 ' OD2' ' OH ' ' A' 1043 ' ' TYR . 24.4 m-20 -82.98 -31.65 27.44 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 111.766 0.284 . . . . 59.8 111.766 -176.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1053 ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.6 -46.14 90.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 118.086 0.403 . . . . 59.77 110.292 168.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1054 ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.67 -39.08 57.58 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.356 -0.538 . . . . 66.36 110.692 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1055 ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.01 -33.62 63.85 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.728 -0.789 . . . . 57.19 111.586 -175.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1056 ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.07 -55.81 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.556 -0.715 . . . . 60.5 110.22 171.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1057 ' ' CYS . . . . . . . . . . . . . 2.7 t -55.48 -46.83 76.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.095 0.474 . . . . 68.8 111.459 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1058 ' ' SER . . . . . . . . . . . . . 10.6 t -63.0 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.084 -0.385 . . . . 63.1 110.98 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -60.27 -44.11 95.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.107 0.48 . . . . 63.46 110.764 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1060 ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.1 79.92 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.216 -0.302 . . . . 68.9 111.124 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1061 ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.23 -36.87 78.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 119.788 -0.765 . . . . 68.02 111.324 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1062 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.61 -37.76 62.76 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.478 -0.889 . . . . 84.35 111.274 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1063 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -80.95 -10.49 59.71 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.827 0.677 . . . . 82.81 112.827 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1064 ' ' ASN . . . . . 0.527 ' OD1' ' NAD' ' A' 1201 ' ' G7B . 70.1 m-20 -132.22 68.5 79.94 Favored Pre-proline 0 C--O 1.24 0.558 0 N-CA-C 108.725 -0.842 . . . . 70.28 108.725 179.636 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1065 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -93.59 -3.71 3.02 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 121.175 1.25 . . . . 68.87 115.177 -176.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1066 ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.14 172.19 13.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 122.042 0.925 . . . . 82.96 110.821 -173.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1067 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -16.94 45.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.889 -1.051 . . . . 72.24 112.702 178.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1068 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.64 153.96 0.37 Allowed Pre-proline 0 C--O 1.236 0.377 0 C-N-CA 126.204 1.802 . . . . 91.37 111.741 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1069 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.13 -27.06 42.16 Favored 'Trans proline' 0 C--O 1.237 0.458 0 CA-C-N 117.948 0.303 . . . . 71.36 112.609 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1070 ' ' GLY . . . . . . . . . . . . . . . -68.22 -41.03 87.43 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.957 -1.116 . . . . 66.64 112.089 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1071 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.24 -24.04 59.24 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.045 0.757 . . . . 76.1 113.045 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -83.37 -33.2 25.86 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 118.722 -1.191 . . . . 78.39 112.491 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1073 ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.08 -46.11 89.12 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.522 -0.736 . . . . 61.63 110.89 171.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1074 ' ' ILE . . . . . . . . . . . . . 47.0 mm -66.39 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 120.553 -0.459 . . . . 63.33 111.419 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1075 ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -63.1 -37.98 89.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.865 -0.734 . . . . 75.13 111.184 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1076 ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -64.34 -41.75 96.62 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.081 -1.048 . . . . 56.2 110.893 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1077 ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.55 -45.88 90.92 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.408 -0.517 . . . . 60.92 110.124 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1078 ' ' ALA . . . . . . . . . . . . . . . -50.48 -56.67 10.52 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.839 0.352 . . . . 64.18 111.536 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 83.0 m -64.6 -30.75 71.78 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.322 -0.551 . . . . 72.06 111.626 -177.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1080 ' ' ALA . . . . . 0.52 ' O ' ' OG1' ' A' 1084 ' ' THR . . . -71.0 -30.32 66.53 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.767 -0.773 . . . . 52.32 110.707 175.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 20.6 tp -61.41 -50.7 71.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.728 0.299 . . . . 55.38 110.781 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1082 ' ' ARG . . . . . . . . . . . . . . . -59.08 -51.53 69.64 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.441 -0.503 . . . . 57.16 110.59 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -59.06 -44.81 91.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.6 0.238 . . . . 70.82 111.556 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1084 ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' 1080 ' ' ALA . 6.9 m -61.68 -49.6 75.87 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.176 -0.328 . . . . 51.95 111.511 178.715 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1085 ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.71 11.77 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.914 0.388 . . . . 51.9 111.267 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1086 ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -62.26 -41.39 98.42 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.621 -0.432 . . . . 60.37 111.527 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1087 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.86 99.33 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.135 -1.026 . . . . 53.31 111.248 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1088 ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.45 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 C-N-CA 119.822 -0.751 . . . . 56.4 110.632 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.22 -44.93 95.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.752 -0.593 . . . . 59.15 110.654 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1090 ' ' LYS . . . . . . . . . . . . . . . -61.06 -35.16 76.2 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.073 -0.651 . . . . 62.47 111.057 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1091 ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.28 -17.16 35.39 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.627 0.973 . . . . 75.39 113.627 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -134.06 -5.71 2.72 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 115.547 1.684 . . . . 74.68 115.547 -167.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1093 ' ' LEU . . . . . . . . . . . . . 6.8 tp -108.67 111.4 23.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 120.129 1.331 . . . . 58.76 107.86 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1094 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.58 122.49 9.05 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.877 -0.602 . . . . 67.81 110.399 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1095 ' ' GLU . . . . . . . . . . . . . . . -40.89 -45.82 2.61 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.273 -0.876 . . . . 59.52 112.391 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1096 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.81 -42.14 95.22 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.29 -0.564 . . . . 62.14 111.223 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1097 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -52.82 -46.83 67.91 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.311 -0.556 . . . . 59.84 110.74 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -65.23 -37.13 86.3 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.986 -1.085 . . . . 59.82 110.868 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1099 ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.87 -44.24 97.32 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.87 0.366 . . . . 67.95 111.466 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1100 ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.13 -36.43 81.74 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.798 -0.761 . . . . 62.22 111.239 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1101 ' ' CYS . . . . . . . . . . . . . 38.4 m -64.89 -38.02 89.58 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.825 -0.75 . . . . 58.08 111.115 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1102 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -72.81 -37.49 67.5 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.363 -0.535 . . . . 79.85 111.32 -179.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -69.6 -33.15 72.28 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.22 -0.592 . . . . 74.86 111.663 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1104 ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.66 -48.08 73.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.285 0.565 . . . . 70.85 110.324 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1105 ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -60.62 -46.51 90.0 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 122.104 -0.373 . . . . 77.08 110.631 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1106 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.0 -22.58 67.02 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.578 0.584 . . . . 98.9 112.578 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1107 ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 118.455 0.57 . . . . 86.22 109.962 178.386 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1201 ' ' G7B . . . . . 0.527 ' NAD' ' OD1' ' A' 1064 ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1202 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1302 ' ' HOH . . . . . 0.596 ' O ' ' NH2' ' A' 1005 ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 979' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 982' ' ' GLU . 11.7 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 111.962 0.356 . . . . 82.9 111.962 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 980' ' ' MET . . . . . . . . . . . . . . . -77.93 -32.35 51.53 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.063 -0.655 . . . . 85.19 111.638 173.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.07 -35.91 64.29 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.666 -0.813 . . . . 91.78 111.842 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 982' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 979' ' ' SER . 90.2 mt-10 -70.0 -28.46 65.53 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.668 -0.413 . . . . 75.63 111.418 178.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . . . -75.14 -27.73 59.86 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.463 -0.495 . . . . 64.58 111.393 174.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 984' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -62.05 -40.06 94.48 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 122.107 -0.371 . . . . 75.14 111.155 171.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 985' ' ' THR . . . . . . . . . . . . . 1.4 t -79.73 -27.04 40.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 118.478 -1.289 . . . . 64.29 111.055 -171.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 986' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -71.72 -38.12 70.53 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.882 0.31 . . . . 59.2 111.046 170.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 987' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -57.65 -45.52 85.39 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.835 -0.346 . . . . 65.37 110.966 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 988' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.17 -42.77 95.68 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.7 -0.8 . . . . 60.51 110.394 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 989' ' ' LEU . . . . . . . . . . . . . 60.1 tp -55.48 -50.56 69.58 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.24 -0.584 . . . . 53.23 111.016 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 990' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -61.06 -43.88 98.22 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.825 -0.35 . . . . 56.39 111.216 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.25 -42.89 75.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.623 -0.431 . . . . 52.93 110.133 177.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.43 -50.13 72.7 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.995 -0.441 . . . . 51.73 110.835 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 993' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.56 -27.92 69.51 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.386 -0.926 . . . . 51.35 111.325 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 994' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -74.17 -41.53 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.923 -0.711 . . . . 60.64 110.568 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -64.55 -50.24 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.591 0.234 . . . . 56.54 110.717 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 996' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.08 -52.43 29.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 O-C-N 121.954 -0.466 . . . . 50.98 110.976 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 52.7 m -62.09 -39.82 93.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.064 -0.654 . . . . 49.81 110.967 -173.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 998' ' ' HIS . . . . . 0.485 ' O ' HG23 ' A' 1002 ' ' ILE . 12.9 t-80 -55.3 -25.98 37.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.294 -0.563 . . . . 55.26 111.044 178.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 999' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -91.14 -36.35 14.02 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 112.427 0.529 . . . . 69.34 112.427 -166.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1000 ' ' LEU . . . . . 0.527 HD13 HD11 ' A' 1081 ' ' LEU . 41.9 mt -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 123.927 0.767 . . . . 52.54 110.354 161.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1001 ' ' ALA . . . . . . . . . . . . . . . -73.4 -27.53 61.51 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.956 0.724 . . . . 56.61 112.956 -168.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1002 ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 998' ' ' HIS . 10.2 pt -93.48 6.31 6.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 118.637 0.653 . . . . 57.82 112.703 179.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.05 124.96 34.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.921 -1.14 . . . . 57.62 107.921 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1004 ' ' LYS . . . . . . . . . . . . . . . -51.25 -40.27 58.48 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.34 0.4 . . . . 61.53 112.043 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1005 ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -56.77 -26.83 58.5 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 112.939 0.718 . . . . 62.81 112.939 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1006 ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -111.32 10.75 21.62 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.713 0.635 . . . . 60.69 112.713 -172.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1007 ' ' ARG . . . . . 0.422 ' O ' ' OG1' ' A' 1010 ' ' THR . . . -52.45 -30.32 29.11 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.19 0.441 . . . . 63.76 112.19 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1008 ' ' VAL . . . . . . . . . . . . . 12.0 m -75.65 -11.47 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 121.855 -0.528 . . . . 63.24 111.745 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1009 ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -102.68 3.36 36.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.61 0.596 . . . . 57.28 112.61 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1010 ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' 1007 ' ' ARG . 4.6 p -77.12 -46.58 23.03 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.418 0.287 . . . . 59.74 111.773 -171.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1011 ' ' LYS . . . . . . . . . . . . . . . -119.81 157.59 52.02 Favored Pre-proline 0 C--O 1.238 0.49 0 C-N-CA 123.583 0.753 . . . . 63.32 110.101 -172.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1012 ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.4 150.09 27.72 Favored 'Trans proline' 0 CA--C 1.521 -0.171 0 N-CA-C 110.332 -0.68 . . . . 75.06 110.332 172.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1013 ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' 1021 ' ' TYR . 2.4 p -67.86 134.72 29.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 109.079 -0.712 . . . . 87.23 109.079 -179.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . . . -65.47 128.98 94.25 Favored Pre-proline 0 C--O 1.242 0.686 0 C-N-CA 120.833 -0.347 . . . . 97.42 110.539 -174.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1015 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -60.83 -30.32 89.91 Favored 'Trans proline' 0 C--O 1.239 0.554 0 CA-C-N 118.682 0.565 . . . . 104.43 112.958 -177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1016 ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.29 -50.99 8.86 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.435 -0.506 . . . . 104.88 110.75 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . . . -57.41 -40.48 78.4 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 111.856 0.317 . . . . 103.39 111.856 -170.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1018 ' ' VAL . . . . . . . . . . . . . 48.2 t -128.32 88.78 51.68 Favored Pre-proline 0 C--O 1.241 0.638 0 N-CA-C 106.581 -1.637 . . . . 102.3 106.581 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1019 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -64.17 -47.23 6.57 Favored 'Trans proline' 0 C--O 1.242 0.682 0 N-CA-C 113.454 0.521 . . . . 101.96 113.454 -172.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1020 ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' 1020 ' ' ASP . 2.2 p30 -86.33 22.88 1.7 Allowed 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.457 0.91 . . . . 103.11 113.457 -169.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1021 ' ' TYR . . . . . 0.765 ' CD1' HG11 ' A' 1013 ' ' VAL . 23.2 t80 -73.42 -50.16 23.2 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.092 0.86 . . . . 93.05 110.969 174.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1022 ' ' VAL . . . . . . . . . . . . . 4.0 p -65.38 -2.01 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.413 -0.588 . . . . 96.06 109.413 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 36.8 m -68.96 -66.19 0.61 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.485 -0.325 . . . . 96.74 111.002 169.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1024 ' ' VAL . . . . . . . . . . . . . 5.2 p -104.47 -7.05 9.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 N-CA-C 114.02 1.119 . . . . 89.2 114.02 -167.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1025 ' ' ILE . . . . . . . . . . . . . 1.2 mp -105.56 120.11 55.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 119.718 1.145 . . . . 80.67 108.652 173.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1026 ' ' LYS . . . . . . . . . . . . . . . -96.08 -21.58 17.87 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 114.401 1.259 . . . . 73.84 114.401 -170.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1027 ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -130.95 83.5 60.89 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 119.324 0.965 . . . . 69.76 109.405 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1028 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.49 144.57 99.53 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 110.349 -0.674 . . . . 66.71 110.349 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1029 ' ' MET . . . . . 0.502 ' HG2' HD23 ' A' 1055 ' ' LEU . 7.0 tpp -148.36 143.34 26.78 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.235 -1.395 . . . . 64.06 107.235 -179.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1030 ' ' ASP . . . . . . . . . . . . . 3.8 p30 -161.13 159.45 29.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.675 -0.861 . . . . 63.98 108.675 -175.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.8 -34.16 71.18 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.276 -0.875 . . . . 57.85 112.748 -170.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1032 ' ' SER . . . . . . . . . . . . . 60.7 p -70.31 -36.93 74.63 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.939 -0.704 . . . . 56.63 111.675 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1033 ' ' SER . . . . . . . . . . . . . 45.3 m -66.09 -29.61 69.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 111.859 0.318 . . . . 60.87 111.859 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1034 ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' 1038 ' ' ILE . 75.9 t -69.9 -38.88 76.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 119.423 -0.911 . . . . 56.77 109.778 177.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1035 ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.27 -40.29 88.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 119.838 -0.745 . . . . 62.18 110.298 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1036 ' ' SER . . . . . . . . . . . . . 23.5 m -68.09 -30.65 69.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.029 -0.419 . . . . 60.47 111.854 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1037 ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -73.12 -29.57 63.0 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 117.53 -1.668 . . . . 58.47 111.062 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1038 ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' 1034 ' ' VAL . 47.2 mt -66.4 -54.92 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.288 -0.965 . . . . 54.35 109.533 176.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1039 ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -57.05 -29.52 63.48 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.131 0.573 . . . . 62.94 111.626 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1040 ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.75 9.52 13.82 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.025 0.75 . . . . 62.09 113.025 173.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1041 ' ' HIS . . . . . . . . . . . . . 1.9 m80 61.52 32.53 18.75 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.759 0.824 . . . . 58.8 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1042 ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -79.13 -21.24 46.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 113.564 0.95 . . . . 63.4 113.564 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1043 ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -106.04 115.35 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 119.525 1.057 . . . . 52.65 109.834 -176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.02 -13.83 18.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 113.007 0.743 . . . . 61.87 113.007 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 55.1 p -142.11 163.17 33.59 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.331 -0.988 . . . . 59.34 108.331 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1046 ' ' VAL . . . . . 0.707 HG21 HD22 ' A' 1093 ' ' LEU . 67.6 t -65.68 -38.67 82.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-N 115.28 -0.873 . . . . 60.25 110.547 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1047 ' ' LYS . . . . . 0.429 ' HD3' ' OE1' ' A' 1102 ' ' GLU . 3.3 mptt -53.51 -41.11 66.0 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.445 -0.502 . . . . 77.94 110.907 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1048 ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -67.16 -37.28 83.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.271 -0.572 . . . . 68.56 110.813 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1049 ' ' TYR . . . . . . . . . . . . . 48.6 t80 -61.42 -51.08 70.23 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.784 -0.766 . . . . 59.59 110.359 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1050 ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.7 -28.59 70.05 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 111.934 0.346 . . . . 61.56 111.934 -174.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . . . -57.51 -32.47 67.06 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.707 -0.797 . . . . 59.59 110.574 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1052 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -82.98 -31.65 27.44 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 111.766 0.284 . . . . 59.8 111.766 -176.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1053 ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.6 -46.14 90.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 118.086 0.403 . . . . 59.77 110.292 168.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1054 ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.67 -39.08 57.58 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.356 -0.538 . . . . 66.36 110.692 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1055 ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' 1029 ' ' MET . 11.7 tp -74.01 -33.62 63.85 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.728 -0.789 . . . . 57.19 111.586 -175.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1056 ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.07 -55.81 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.556 -0.715 . . . . 60.5 110.22 171.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1057 ' ' CYS . . . . . . . . . . . . . 2.7 t -55.48 -46.83 76.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.095 0.474 . . . . 68.8 111.459 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1058 ' ' SER . . . . . . . . . . . . . 10.6 t -63.0 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.084 -0.385 . . . . 63.1 110.98 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -60.27 -44.11 95.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.107 0.48 . . . . 63.46 110.764 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1060 ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.1 79.92 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.216 -0.302 . . . . 68.9 111.124 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1061 ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.23 -36.87 78.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 119.788 -0.765 . . . . 68.02 111.324 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1062 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.61 -37.76 62.76 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.478 -0.889 . . . . 84.35 111.274 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1063 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -80.95 -10.49 59.71 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.827 0.677 . . . . 82.81 112.827 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1064 ' ' ASN . . . . . 0.678 ' ND2' ' NAD' ' A' 1201 ' ' G7B . 23.1 m120 -132.22 68.5 79.94 Favored Pre-proline 0 C--O 1.24 0.558 0 N-CA-C 108.725 -0.842 . . . . 70.28 108.725 179.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1065 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -93.59 -3.71 3.02 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 121.175 1.25 . . . . 68.87 115.177 -176.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1066 ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.14 172.19 13.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 122.042 0.925 . . . . 82.96 110.821 -173.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1067 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -16.94 45.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.889 -1.051 . . . . 72.24 112.702 178.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1068 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.64 153.96 0.37 Allowed Pre-proline 0 C--O 1.236 0.377 0 C-N-CA 126.204 1.802 . . . . 91.37 111.741 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1069 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.13 -27.06 42.16 Favored 'Trans proline' 0 C--O 1.237 0.458 0 CA-C-N 117.948 0.303 . . . . 71.36 112.609 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1070 ' ' GLY . . . . . . . . . . . . . . . -68.22 -41.03 87.43 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.957 -1.116 . . . . 66.64 112.089 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1071 ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' 1075 ' ' ARG . 5.2 m-20 -74.24 -24.04 59.24 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.045 0.757 . . . . 76.1 113.045 176.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1072 ' ' ARG . . . . . 0.553 ' HG2' ' NH2' ' A' 1075 ' ' ARG . 16.9 mtm180 -83.37 -33.2 25.86 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 118.722 -1.191 . . . . 78.39 112.491 178.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1073 ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.08 -46.11 89.12 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.522 -0.736 . . . . 61.63 110.89 171.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1074 ' ' ILE . . . . . . . . . . . . . 47.0 mm -66.39 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 120.553 -0.459 . . . . 63.33 111.419 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1075 ' ' ARG . . . . . 0.553 ' NH2' ' HG2' ' A' 1072 ' ' ARG . 23.0 mtm180 -63.1 -37.98 89.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.865 -0.734 . . . . 75.13 111.184 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1076 ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -64.34 -41.75 96.62 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.081 -1.048 . . . . 56.2 110.893 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1077 ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.55 -45.88 90.92 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.408 -0.517 . . . . 60.92 110.124 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1078 ' ' ALA . . . . . . . . . . . . . . . -50.48 -56.67 10.52 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.839 0.352 . . . . 64.18 111.536 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 83.0 m -64.6 -30.75 71.78 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.322 -0.551 . . . . 72.06 111.626 -177.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1080 ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' 1084 ' ' THR . . . -71.0 -30.32 66.53 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.767 -0.773 . . . . 52.32 110.707 175.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1081 ' ' LEU . . . . . 0.527 HD11 HD13 ' A' 1000 ' ' LEU . 20.6 tp -61.41 -50.7 71.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.728 0.299 . . . . 55.38 110.781 168.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1082 ' ' ARG . . . . . . . . . . . . . . . -59.08 -51.53 69.64 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.441 -0.503 . . . . 57.16 110.59 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -59.06 -44.81 91.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.6 0.238 . . . . 70.82 111.556 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1084 ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' 1080 ' ' ALA . 6.9 m -61.68 -49.6 75.87 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.176 -0.328 . . . . 51.95 111.511 178.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1085 ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.71 11.77 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.914 0.388 . . . . 51.9 111.267 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1086 ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -62.26 -41.39 98.42 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.621 -0.432 . . . . 60.37 111.527 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1087 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.86 99.33 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.135 -1.026 . . . . 53.31 111.248 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1088 ' ' ILE . . . . . 0.607 HG23 ' OE2' ' A' 1092 ' ' GLU . 10.9 mt -62.45 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 C-N-CA 119.822 -0.751 . . . . 56.4 110.632 -179.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.22 -44.93 95.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.752 -0.593 . . . . 59.15 110.654 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1090 ' ' LYS . . . . . . . . . . . . . . . -61.06 -35.16 76.2 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.073 -0.651 . . . . 62.47 111.057 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1091 ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.28 -17.16 35.39 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.627 0.973 . . . . 75.39 113.627 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1092 ' ' GLU . . . . . 0.607 ' OE2' HG23 ' A' 1088 ' ' ILE . 64.2 mt-10 -134.06 -5.71 2.72 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 115.547 1.684 . . . . 74.68 115.547 -167.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1093 ' ' LEU . . . . . 0.707 HD22 HG21 ' A' 1046 ' ' VAL . 6.8 tp -108.67 111.4 23.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 120.129 1.331 . . . . 58.76 107.86 176.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1094 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.58 122.49 9.05 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.877 -0.602 . . . . 67.81 110.399 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1095 ' ' GLU . . . . . . . . . . . . . . . -40.89 -45.82 2.61 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.273 -0.876 . . . . 59.52 112.391 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1096 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.81 -42.14 95.22 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.29 -0.564 . . . . 62.14 111.223 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1097 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -52.82 -46.83 67.91 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.311 -0.556 . . . . 59.84 110.74 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -65.23 -37.13 86.3 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.986 -1.085 . . . . 59.82 110.868 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1099 ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.87 -44.24 97.32 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.87 0.366 . . . . 67.95 111.466 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1100 ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.13 -36.43 81.74 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.798 -0.761 . . . . 62.22 111.239 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1101 ' ' CYS . . . . . . . . . . . . . 38.4 m -64.89 -38.02 89.58 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.825 -0.75 . . . . 58.08 111.115 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1102 ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' 1047 ' ' LYS . 24.7 mt-10 -72.81 -37.49 67.5 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.363 -0.535 . . . . 79.85 111.32 -179.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -69.6 -33.15 72.28 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.22 -0.592 . . . . 74.86 111.663 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1104 ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.66 -48.08 73.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.285 0.565 . . . . 70.85 110.324 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1105 ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -60.62 -46.51 90.0 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 122.104 -0.373 . . . . 77.08 110.631 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1106 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.0 -22.58 67.02 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.578 0.584 . . . . 98.9 112.578 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1107 ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 118.455 0.57 . . . . 86.22 109.962 178.386 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1201 ' ' G7B . . . . . 0.678 ' NAD' ' ND2' ' A' 1064 ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1202 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 979' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 982' ' ' GLU . 11.7 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 111.962 0.356 . . . . 82.900000000000006 111.962 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 980' ' ' MET . . . . . . . . . . . . . . . -77.93 -32.35 51.53 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.063 -0.655 . . . . 85.189999999999998 111.638 173.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.07 -35.91 64.29 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.666 -0.813 . . . . 91.780000000000001 111.842 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 982' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 979' ' ' SER . 90.2 mt-10 -70.0 -28.46 65.53 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.668 -0.413 . . . . 75.629999999999995 111.418 178.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 983' ' ' GLU . . . . . . . . . . . . . . . -75.14 -27.73 59.86 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.463 -0.495 . . . . 64.579999999999998 111.393 174.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 984' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -62.05 -40.06 94.48 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 122.107 -0.371 . . . . 75.140000000000001 111.155 171.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 985' ' ' THR . . . . . . . . . . . . . 1.4 t -79.73 -27.04 40.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 118.478 -1.289 . . . . 64.290000000000006 111.055 -171.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 986' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -71.72 -38.12 70.53 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.882 0.31 . . . . 59.200000000000003 111.046 170.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 987' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -57.65 -45.52 85.39 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.835 -0.346 . . . . 65.370000000000005 110.966 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 988' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.17 -42.77 95.68 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.7 -0.8 . . . . 60.509999999999998 110.394 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 989' ' ' LEU . . . . . . . . . . . . . 60.1 tp -55.48 -50.56 69.58 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.24 -0.584 . . . . 53.229999999999997 111.016 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 990' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -61.06 -43.88 98.22 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.825 -0.35 . . . . 56.390000000000001 111.216 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.25 -42.89 75.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.623 -0.431 . . . . 52.93 110.133 177.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -62.43 -50.13 72.7 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.995 -0.441 . . . . 51.729999999999997 110.835 176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 993' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.56 -27.92 69.51 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.386 -0.926 . . . . 51.350000000000001 111.325 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 994' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -74.17 -41.53 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.923 -0.711 . . . . 60.640000000000001 110.568 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -64.55 -50.24 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.591 0.234 . . . . 56.539999999999999 110.717 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 996' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.08 -52.43 29.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 O-C-N 121.954 -0.466 . . . . 50.979999999999997 110.976 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 52.7 m -62.09 -39.82 93.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.064 -0.654 . . . . 49.810000000000002 110.967 -173.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 998' ' ' HIS . . . . . 0.485 ' O ' HG23 ' A' 1002 ' ' ILE . 12.9 t-80 -55.3 -25.98 37.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.294 -0.563 . . . . 55.259999999999998 111.044 178.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 999' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -91.14 -36.35 14.02 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 112.427 0.529 . . . . 69.340000000000003 112.427 -166.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1000 ' ' LEU . . . . . 0.527 HD13 HD11 ' A' 1081 ' ' LEU . 41.9 mt -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 123.927 0.767 . . . . 52.539999999999999 110.354 161.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' ALA . . . . . . . . . . . . . . . -73.4 -27.53 61.51 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.956 0.724 . . . . 56.609999999999999 112.956 -168.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 998' ' ' HIS . 10.2 pt -93.48 6.31 6.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 118.637 0.653 . . . . 57.82 112.703 179.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.05 124.96 34.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.921 -1.14 . . . . 57.619999999999997 107.921 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' LYS . . . . . . . . . . . . . . . -51.25 -40.27 58.48 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.34 0.4 . . . . 61.530000000000001 112.043 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -56.77 -26.83 58.5 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 112.939 0.718 . . . . 62.810000000000002 112.939 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -111.32 10.75 21.62 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.713 0.635 . . . . 60.689999999999998 112.713 -172.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' ARG . . . . . 0.422 ' O ' ' OG1' ' A' 1010 ' ' THR . . . -52.45 -30.32 29.11 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.19 0.441 . . . . 63.759999999999998 112.19 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' VAL . . . . . . . . . . . . . 12.0 m -75.65 -11.47 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 121.855 -0.528 . . . . 63.240000000000002 111.745 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -102.68 3.36 36.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.61 0.596 . . . . 57.280000000000001 112.61 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' 1007 ' ' ARG . 4.6 p -77.12 -46.58 23.03 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.418 0.287 . . . . 59.740000000000002 111.773 -171.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' LYS . . . . . . . . . . . . . . . -119.81 157.59 52.02 Favored Pre-proline 0 C--O 1.238 0.49 0 C-N-CA 123.583 0.753 . . . . 63.32 110.101 -172.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.4 150.09 27.72 Favored 'Trans proline' 0 CA--C 1.521 -0.171 0 N-CA-C 110.332 -0.68 . . . . 75.060000000000002 110.332 172.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' 1021 ' ' TYR . 2.4 p -67.86 134.72 29.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 N-CA-C 109.079 -0.712 . . . . 87.230000000000004 109.079 -179.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . . . -65.47 128.98 94.25 Favored Pre-proline 0 C--O 1.242 0.686 0 C-N-CA 120.833 -0.347 . . . . 97.420000000000002 110.539 -174.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -60.83 -30.32 89.91 Favored 'Trans proline' 0 C--O 1.239 0.554 0 CA-C-N 118.682 0.565 . . . . 104.43000000000001 112.958 -177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.29 -50.99 8.86 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.435 -0.506 . . . . 104.88 110.75 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . . . -57.41 -40.48 78.4 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 111.856 0.317 . . . . 103.39 111.856 -170.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' VAL . . . . . . . . . . . . . 48.2 t -128.32 88.78 51.68 Favored Pre-proline 0 C--O 1.241 0.638 0 N-CA-C 106.581 -1.637 . . . . 102.3 106.581 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -64.17 -47.23 6.57 Favored 'Trans proline' 0 C--O 1.242 0.682 0 N-CA-C 113.454 0.521 . . . . 101.95999999999999 113.454 -172.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' 1020 ' ' ASP . 2.2 p30 -86.33 22.88 1.7 Allowed 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.457 0.91 . . . . 103.11 113.457 -169.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' TYR . . . . . 0.765 ' CD1' HG11 ' A' 1013 ' ' VAL . 23.2 t80 -73.42 -50.16 23.2 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.092 0.86 . . . . 93.049999999999997 110.969 174.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' VAL . . . . . . . . . . . . . 4.0 p -65.38 -2.01 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 109.413 -0.588 . . . . 96.060000000000002 109.413 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' THR . . . . . . . . . . . . . 36.8 m -68.96 -66.19 0.61 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.485 -0.325 . . . . 96.739999999999995 111.002 169.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' VAL . . . . . . . . . . . . . 5.2 p -104.47 -7.05 9.64 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 N-CA-C 114.02 1.119 . . . . 89.200000000000003 114.02 -167.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1025 ' ' ILE . . . . . . . . . . . . . 1.2 mp -105.56 120.11 55.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 119.718 1.145 . . . . 80.670000000000002 108.652 173.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' LYS . . . . . . . . . . . . . . . -96.08 -21.58 17.87 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 114.401 1.259 . . . . 73.840000000000003 114.401 -170.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -130.95 83.5 60.89 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 119.324 0.965 . . . . 69.760000000000005 109.405 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1028 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.49 144.57 99.53 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 110.349 -0.674 . . . . 66.709999999999994 110.349 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1029 ' ' MET . . . . . 0.502 ' HG2' HD23 ' A' 1055 ' ' LEU . 7.0 tpp -148.36 143.34 26.78 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.235 -1.395 . . . . 64.060000000000002 107.235 -179.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' ASP . . . . . . . . . . . . . 3.8 p30 -161.13 159.45 29.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.675 -0.861 . . . . 63.979999999999997 108.675 -175.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 21.1 mt -58.8 -34.16 71.18 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.276 -0.875 . . . . 57.850000000000001 112.748 -170.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1032 ' ' SER . . . . . . . . . . . . . 60.7 p -70.31 -36.93 74.63 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.939 -0.704 . . . . 56.630000000000003 111.675 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1033 ' ' SER . . . . . . . . . . . . . 45.3 m -66.09 -29.61 69.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 111.859 0.318 . . . . 60.869999999999997 111.859 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1034 ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' 1038 ' ' ILE . 75.9 t -69.9 -38.88 76.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 119.423 -0.911 . . . . 56.770000000000003 109.778 177.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1035 ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.27 -40.29 88.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 119.838 -0.745 . . . . 62.18 110.298 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1036 ' ' SER . . . . . . . . . . . . . 23.5 m -68.09 -30.65 69.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.029 -0.419 . . . . 60.469999999999999 111.854 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1037 ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -73.12 -29.57 63.0 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 117.53 -1.668 . . . . 58.469999999999999 111.062 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1038 ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' 1034 ' ' VAL . 47.2 mt -66.4 -54.92 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.288 -0.965 . . . . 54.350000000000001 109.533 176.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1039 ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -57.05 -29.52 63.48 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.131 0.573 . . . . 62.939999999999998 111.626 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1040 ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.75 9.52 13.82 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.025 0.75 . . . . 62.090000000000003 113.025 173.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1041 ' ' HIS . . . . . . . . . . . . . 1.9 m80 61.52 32.53 18.75 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.759 0.824 . . . . 58.799999999999997 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1042 ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -79.13 -21.24 46.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 113.564 0.95 . . . . 63.399999999999999 113.564 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1043 ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -106.04 115.35 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 119.525 1.057 . . . . 52.649999999999999 109.834 -176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.02 -13.83 18.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 113.007 0.743 . . . . 61.869999999999997 113.007 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 55.1 p -142.11 163.17 33.59 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.331 -0.988 . . . . 59.340000000000003 108.331 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1046 ' ' VAL . . . . . 0.707 HG21 HD22 ' A' 1093 ' ' LEU . 67.6 t -65.68 -38.67 82.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-N 115.28 -0.873 . . . . 60.25 110.547 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1047 ' ' LYS . . . . . 0.429 ' HD3' ' OE1' ' A' 1102 ' ' GLU . 3.3 mptt -53.51 -41.11 66.0 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.445 -0.502 . . . . 77.939999999999998 110.907 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1048 ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -67.16 -37.28 83.5 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.271 -0.572 . . . . 68.560000000000002 110.813 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1049 ' ' TYR . . . . . . . . . . . . . 48.6 t80 -61.42 -51.08 70.23 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 119.784 -0.766 . . . . 59.590000000000003 110.359 174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1050 ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.7 -28.59 70.05 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 111.934 0.346 . . . . 61.560000000000002 111.934 -174.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1051 ' ' ARG . . . . . . . . . . . . . . . -57.51 -32.47 67.06 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.707 -0.797 . . . . 59.590000000000003 110.574 174.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1052 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -82.98 -31.65 27.44 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 111.766 0.284 . . . . 59.799999999999997 111.766 -176.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1053 ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.6 -46.14 90.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 118.086 0.403 . . . . 59.770000000000003 110.292 168.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1054 ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.67 -39.08 57.58 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 120.356 -0.538 . . . . 66.359999999999999 110.692 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1055 ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' 1029 ' ' MET . 11.7 tp -74.01 -33.62 63.85 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.728 -0.789 . . . . 57.189999999999998 111.586 -175.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1056 ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.07 -55.81 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.556 -0.715 . . . . 60.5 110.22 171.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1057 ' ' CYS . . . . . . . . . . . . . 2.7 t -55.48 -46.83 76.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.095 0.474 . . . . 68.799999999999997 111.459 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1058 ' ' SER . . . . . . . . . . . . . 10.6 t -63.0 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.084 -0.385 . . . . 63.100000000000001 110.98 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -60.27 -44.11 95.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.107 0.48 . . . . 63.460000000000001 110.764 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1060 ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.1 79.92 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 122.216 -0.302 . . . . 68.900000000000006 111.124 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1061 ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.23 -36.87 78.7 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 119.788 -0.765 . . . . 68.019999999999996 111.324 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1062 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.61 -37.76 62.76 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.478 -0.889 . . . . 84.349999999999994 111.274 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1063 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -80.95 -10.49 59.71 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.827 0.677 . . . . 82.810000000000002 112.827 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1064 ' ' ASN . . . . . 0.527 ' OD1' ' NAD' ' A' 1201 ' ' G7B . 70.1 m-20 -132.22 68.5 79.94 Favored Pre-proline 0 C--O 1.24 0.558 0 N-CA-C 108.725 -0.842 . . . . 70.280000000000001 108.725 179.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1065 ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -93.59 -3.71 3.02 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 121.175 1.25 . . . . 68.870000000000005 115.177 -176.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1066 ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.14 172.19 13.91 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 122.042 0.925 . . . . 82.959999999999994 110.821 -173.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1067 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -16.94 45.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 114.889 -1.051 . . . . 72.239999999999995 112.702 178.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1068 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.64 153.96 0.37 Allowed Pre-proline 0 C--O 1.236 0.377 0 C-N-CA 126.204 1.802 . . . . 91.370000000000005 111.741 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1069 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.13 -27.06 42.16 Favored 'Trans proline' 0 C--O 1.237 0.458 0 CA-C-N 117.948 0.303 . . . . 71.359999999999999 112.609 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1070 ' ' GLY . . . . . . . . . . . . . . . -68.22 -41.03 87.43 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.957 -1.116 . . . . 66.640000000000001 112.089 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1071 ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' 1075 ' ' ARG . 5.2 m-20 -74.24 -24.04 59.24 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.045 0.757 . . . . 76.099999999999994 113.045 176.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1072 ' ' ARG . . . . . 0.553 ' HG2' ' NH2' ' A' 1075 ' ' ARG . 16.9 mtm180 -83.37 -33.2 25.86 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 118.722 -1.191 . . . . 78.390000000000001 112.491 178.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1073 ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.08 -46.11 89.12 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.522 -0.736 . . . . 61.630000000000003 110.89 171.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1074 ' ' ILE . . . . . 0.424 HG21 ' ND2' ' A' 1064 ' ' ASN . 47.0 mm -66.39 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 120.553 -0.459 . . . . 63.329999999999998 111.419 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1075 ' ' ARG . . . . . 0.553 ' NH2' ' HG2' ' A' 1072 ' ' ARG . 23.0 mtm180 -63.1 -37.98 89.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.865 -0.734 . . . . 75.129999999999995 111.184 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1076 ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -64.34 -41.75 96.62 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.081 -1.048 . . . . 56.200000000000003 110.893 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1077 ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.55 -45.88 90.92 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.408 -0.517 . . . . 60.920000000000002 110.124 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1078 ' ' ALA . . . . . . . . . . . . . . . -50.48 -56.67 10.52 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.839 0.352 . . . . 64.180000000000007 111.536 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 83.0 m -64.6 -30.75 71.78 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.322 -0.551 . . . . 72.060000000000002 111.626 -177.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1080 ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' 1084 ' ' THR . . . -71.0 -30.32 66.53 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.767 -0.773 . . . . 52.32 110.707 175.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1081 ' ' LEU . . . . . 0.527 HD11 HD13 ' A' 1000 ' ' LEU . 20.6 tp -61.41 -50.7 71.78 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.728 0.299 . . . . 55.380000000000003 110.781 168.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1082 ' ' ARG . . . . . . . . . . . . . . . -59.08 -51.53 69.64 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.441 -0.503 . . . . 57.159999999999997 110.59 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -59.06 -44.81 91.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.6 0.238 . . . . 70.819999999999993 111.556 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1084 ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' 1080 ' ' ALA . 6.9 m -61.68 -49.6 75.87 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.176 -0.328 . . . . 51.950000000000003 111.511 178.715 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1085 ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.71 11.77 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.914 0.388 . . . . 51.899999999999999 111.267 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1086 ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -62.26 -41.39 98.42 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.621 -0.432 . . . . 60.369999999999997 111.527 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1087 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.86 99.33 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.135 -1.026 . . . . 53.310000000000002 111.248 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1088 ' ' ILE . . . . . 0.607 HG23 ' OE2' ' A' 1092 ' ' GLU . 10.9 mt -62.45 -42.62 96.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 C-N-CA 119.822 -0.751 . . . . 56.399999999999999 110.632 -179.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.22 -44.93 95.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.752 -0.593 . . . . 59.149999999999999 110.654 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1090 ' ' LYS . . . . . . . . . . . . . . . -61.06 -35.16 76.2 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.073 -0.651 . . . . 62.469999999999999 111.057 -176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1091 ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.28 -17.16 35.39 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.627 0.973 . . . . 75.390000000000001 113.627 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1092 ' ' GLU . . . . . 0.607 ' OE2' HG23 ' A' 1088 ' ' ILE . 64.2 mt-10 -134.06 -5.71 2.72 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 115.547 1.684 . . . . 74.680000000000007 115.547 -167.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1093 ' ' LEU . . . . . 0.707 HD22 HG21 ' A' 1046 ' ' VAL . 6.8 tp -108.67 111.4 23.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 120.129 1.331 . . . . 58.759999999999998 107.86 176.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1094 ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.58 122.49 9.05 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.877 -0.602 . . . . 67.810000000000002 110.399 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1095 ' ' GLU . . . . . . . . . . . . . . . -40.89 -45.82 2.61 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.273 -0.876 . . . . 59.520000000000003 112.391 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1096 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.81 -42.14 95.22 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.29 -0.564 . . . . 62.140000000000001 111.223 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1097 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -52.82 -46.83 67.91 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.311 -0.556 . . . . 59.840000000000003 110.74 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -65.23 -37.13 86.3 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.986 -1.085 . . . . 59.82 110.868 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1099 ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.87 -44.24 97.32 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.87 0.366 . . . . 67.950000000000003 111.466 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1100 ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.13 -36.43 81.74 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.798 -0.761 . . . . 62.219999999999999 111.239 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1101 ' ' CYS . . . . . . . . . . . . . 38.4 m -64.89 -38.02 89.58 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.825 -0.75 . . . . 58.079999999999998 111.115 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1102 ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' 1047 ' ' LYS . 24.7 mt-10 -72.81 -37.49 67.5 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.363 -0.535 . . . . 79.849999999999994 111.32 -179.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -69.6 -33.15 72.28 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.22 -0.592 . . . . 74.859999999999999 111.663 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1104 ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.66 -48.08 73.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.285 0.565 . . . . 70.849999999999994 110.324 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1105 ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -60.62 -46.51 90.0 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 122.104 -0.373 . . . . 77.079999999999998 110.631 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1106 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.0 -22.58 67.02 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.578 0.584 . . . . 98.900000000000006 112.578 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1107 ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 118.455 0.57 . . . . 86.219999999999999 109.962 178.386 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1201 ' ' G7B . . . . . 0.527 ' NAD' ' OD1' ' A' 1064 ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1202 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1304 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1305 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1306 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1307 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_