data_6njg_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 6njg _Structure_validation_residue.Date_analyzed 2019-03-06 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 ' B' B ' 0' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 112.401 0.519 . . . . 64.819999999999993 112.401 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -70.22 -38.43 6.81 Favored 'Trans proline' 0 CA--C 1.508 -0.777 0 O-C-N 122.813 0.901 . . . . 73.909999999999997 112.88 -157.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . . . -75.18 -35.06 61.61 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.857 -1.137 . . . . 66.950000000000003 110.887 -173.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -70.76 -37.36 73.4 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 119.079 -1.048 . . . . 69.590000000000003 111.088 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . 0.527 ' OE2' ' OG ' ' C' ' 72' ' ' SER . 7.9 mt-10 -61.8 -45.88 91.93 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.329 -0.549 . . . . 72.810000000000002 110.946 178.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.64 -41.17 98.89 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 118.122 -1.431 . . . . 98.840000000000003 110.461 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.54 -48.29 82.43 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 118.628 -1.229 . . . . 89.090000000000003 111.579 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 mt -65.33 -33.65 76.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.672 -0.643 . . . . 61.920000000000002 111.854 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 60.2 mt -63.18 -47.35 92.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 121.88 0.847 . . . . 52.380000000000003 109.633 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -59.53 -36.85 76.92 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.346 -0.843 . . . . 91.769999999999996 110.229 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -71.38 -39.0 71.5 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.255 -0.978 . . . . 66.849999999999994 111.653 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.72 72.71 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 122.186 -0.321 . . . . 60.829999999999998 110.435 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.52 -46.44 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 120.902 0.382 . . . . 65.950000000000003 110.308 172.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.0 -51.63 68.88 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.931 -0.48 . . . . 92.150000000000006 110.792 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.42 -30.43 66.87 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.134 -1.026 . . . . 62.530000000000001 111.507 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.9 p -75.29 7.6 3.35 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 113.328 0.862 . . . . 73.030000000000001 113.328 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--O 1.241 0.64 0 CA-C-N 119.401 1.001 . . . . 76.469999999999999 111.901 -178.465 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttt . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 114.602 1.334 . . . . 110.94 114.602 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . . . -104.28 128.04 51.99 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 120.725 -1.234 . . . . 88.769999999999996 108.47 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.71 164.21 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-O 122.036 0.922 . . . . 72.469999999999999 109.092 168.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -120.76 135.46 55.14 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.187 -1.412 . . . . 72.950000000000003 107.187 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -120.79 115.97 48.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.35 -1.352 . . . . 60.719999999999999 107.35 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.18 96.65 6.62 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 107.371 -1.344 . . . . 97.140000000000001 107.371 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -87.24 123.55 32.37 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.024 -0.423 . . . . 59.859999999999999 110.258 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -107.3 116.55 51.17 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 C-N-CA 126.183 1.793 . . . . 56.829999999999998 107.785 171.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 39.8 m -116.13 132.46 56.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.093 0.473 . . . . 64.689999999999998 111.245 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -113.07 122.77 67.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 108.436 -0.95 . . . . 57.960000000000001 108.436 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' MET . . . . . . . . . . . . . 11.8 ttp -144.05 133.22 22.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.574 0.702 . . . . 81.760000000000005 111.754 172.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -101.17 126.75 47.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.923 -0.58 . . . . 93.180000000000007 109.977 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.65 162.13 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 122.263 1.03 . . . . 74.409999999999997 108.517 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.37 148.56 41.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.606 -1.257 . . . . 77.019999999999996 107.606 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -135.01 139.2 44.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 120.43 -0.508 . . . . 87.079999999999998 110.254 -175.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . . . -98.43 111.05 23.53 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.09 -1.078 . . . . 85.439999999999998 108.09 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -135.56 167.24 25.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.481 -0.933 . . . . 79.560000000000002 108.481 -167.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . . . -109.13 144.45 29.72 Favored Pre-proline 0 N--CA 1.449 -0.486 0 C-N-CA 127.886 2.475 . . . . 91.299999999999997 109.536 165.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -49.41 -23.0 6.73 Favored 'Trans proline' 0 C--O 1.239 0.552 0 CA-C-N 118.043 0.337 . . . . 88.420000000000002 112.226 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -88.16 -4.62 58.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 120.218 -0.593 . . . . 114.95999999999999 112.411 -172.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -65.39 136.47 56.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 100.73999999999999 111.044 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 37.7 p -77.35 165.36 24.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 119.583 -0.847 . . . . 98.370000000000005 110.307 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -49.08 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.415 -0.811 . . . . 75.739999999999995 110.847 172.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -45.83 -47.71 15.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 122.289 -0.257 . . . . 115.86 111.334 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -58.55 -44.82 89.79 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.045 0.45 . . . . 108.28 111.117 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 t -62.68 -42.48 96.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.251 -0.98 . . . . 71.180000000000007 110.287 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.3 -34.14 76.01 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.514 -0.874 . . . . 68.189999999999998 110.977 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.39 93.59 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 120.588 -0.445 . . . . 70.930000000000007 111.759 174.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -63.74 -32.93 74.58 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.681 -1.208 . . . . 82.640000000000001 110.791 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.64 -33.89 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 118.694 -1.203 . . . . 65.409999999999997 109.743 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -64.33 -48.09 76.9 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.099 0.476 . . . . 91.060000000000002 110.657 174.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -57.74 -36.7 72.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.87 -0.605 . . . . 118.34 111.325 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -90.02 -35.92 15.23 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.779 1.029 . . . . 84.480000000000004 113.779 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -117.67 -11.21 10.43 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 115.597 1.702 . . . . 80.159999999999997 115.597 -171.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 4.54 90.17 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-O 118.964 -0.909 . . . . 86.239999999999995 115.3 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.62 119.68 77.85 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 118.682 1.241 . . . . 73.670000000000002 109.616 173.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.44 136.86 75.73 Favored 'Trans proline' 0 C--O 1.245 0.841 0 C-N-CA 120.753 0.969 . . . . 77.75 111.133 172.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.16 -26.34 42.62 Favored 'Trans proline' 0 N--CA 1.484 0.967 0 O-C-N 122.594 0.786 . . . . 76.930000000000007 113.299 -172.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' C' ' 39' ' ' ASP . 3.4 p-10 -77.38 -10.5 59.49 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.676 0.79 . . . . 104.69 113.124 177.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -95.84 5.32 51.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.083 0.772 . . . . 81.450000000000003 113.083 167.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -101.76 131.9 47.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.519 1.128 . . . . 68.969999999999999 111.142 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' B' ' 4' ' ' GLU . 6.9 mtm180 -126.28 104.72 8.36 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.591 -2.003 . . . . 91.709999999999994 105.591 174.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.33 137.02 32.69 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.024 -0.989 . . . . 60.039999999999999 108.466 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -131.99 134.01 60.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 115.412 -0.813 . . . . 56.600000000000001 109.097 -170.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -151.56 146.32 25.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.576 -0.527 . . . . 63.399999999999999 109.576 173.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.08 48.39 1.08 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.618 0.723 . . . . 57.149999999999999 111.249 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.97 15.48 78.93 Favored Glycine 0 CA--C 1.5 -0.864 0 C-N-CA 118.898 -1.62 . . . . 53.549999999999997 115.383 167.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mtp -136.6 150.39 48.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.242 1.021 . . . . 68.25 110.164 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -78.68 136.33 37.42 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 124.141 0.976 . . . . 65.939999999999998 108.836 161.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.78 144.0 28.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 117.512 -1.675 . . . . 65.049999999999997 109.259 -169.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -94.64 139.6 30.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 110.64 109.82 -173.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -57.95 -42.23 84.49 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.538 -0.755 . . . . 90.760000000000005 112.086 -165.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 11.6 49.7 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 115.821 1.088 . . . . 88.959999999999994 115.821 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -99.91 162.06 13.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.503 1.651 . . . . 94.269999999999996 110.046 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -100.94 160.33 14.46 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.669 0.747 . . . . 82.0 110.104 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.02 -35.55 69.4 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.896 -1.047 . . . . 77.879999999999995 111.654 175.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . . . -65.03 -34.98 79.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.525 -0.87 . . . . 77.400000000000006 110.698 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.58 -30.6 42.97 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 120.003 -0.679 . . . . 90.969999999999999 111.537 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.94 14.82 28.81 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 118.742 -0.647 . . . . 64.329999999999998 111.947 -176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 50.59 37.13 15.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.577 0.704 . . . . 80.0 111.17 -176.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 25.5 mt -79.23 112.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.5 -1.667 . . . . 72.680000000000007 106.5 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . . . -108.66 177.98 4.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.106 -1.072 . . . . 83.280000000000001 108.106 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -68.4 151.47 46.8 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.676 -1.61 . . . . 108.12 110.238 -175.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 54.5 24.89 5.66 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.105 -0.952 . . . . 100.16 112.884 -166.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -67.16 147.89 52.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.72 -1.215 . . . . 76.480000000000004 107.72 167.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -112.42 109.7 19.46 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.221 -1.4 . . . . 114.14 107.221 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.33 163.04 12.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.628 0.727 . . . . 63.609999999999999 109.622 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -113.91 155.68 25.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.666 0.746 . . . . 77.260000000000005 110.66 167.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -139.6 130.69 26.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.276 -1.009 . . . . 80.099999999999994 108.276 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.99 124.41 72.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 107.511 -1.292 . . . . 59.18 107.511 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -135.6 157.56 46.57 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.811 0.815 . . . . 59.18 110.68 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' SER . . . . . 0.527 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 23.2 m -109.95 136.58 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.118 -1.401 . . . . 76.299999999999997 109.129 166.687 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt -126.09 155.78 41.04 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.351 1.061 . . . . 76.010000000000005 109.499 172.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . . . -86.92 -34.21 19.45 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.239 -0.437 . . . . 89.310000000000002 110.639 170.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' SER . . . . . . . . . . . . . . . -149.38 153.76 37.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.669 -1.234 . . . . 80.25 107.669 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 121.34 111.726 -178.994 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 112.401 0.519 . . . . 64.82 112.401 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -70.22 -38.43 6.81 Favored 'Trans proline' 0 CA--C 1.508 -0.777 0 O-C-N 122.813 0.901 . . . . 73.91 112.88 -157.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . . . -75.18 -35.06 61.61 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.857 -1.137 . . . . 66.95 110.887 -173.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASP . . . . . 0.611 ' OD2' ' HG2' ' C' ' 6' ' ' GLN . 87.9 m-20 -70.76 -37.36 73.4 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 119.079 -1.048 . . . . 69.59 111.088 173.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.8 -45.88 91.93 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.329 -0.549 . . . . 72.81 110.946 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.64 -41.17 98.89 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 118.122 -1.431 . . . . 98.84 110.461 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.54 -48.29 82.43 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 118.628 -1.229 . . . . 89.09 111.579 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 mt -65.33 -33.65 76.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.672 -0.643 . . . . 61.92 111.854 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 60.2 mt -63.18 -47.35 92.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 121.88 0.847 . . . . 52.38 109.633 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -59.53 -36.85 76.92 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.346 -0.843 . . . . 91.77 110.229 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -71.38 -39.0 71.5 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.255 -0.978 . . . . 66.85 111.653 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.72 72.71 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 122.186 -0.321 . . . . 60.83 110.435 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.52 -46.44 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 120.902 0.382 . . . . 65.95 110.308 172.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.0 -51.63 68.88 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.931 -0.48 . . . . 92.15 110.792 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.42 -30.43 66.87 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.134 -1.026 . . . . 62.53 111.507 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.9 p -75.29 7.6 3.35 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 113.328 0.862 . . . . 73.03 113.328 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--O 1.241 0.64 0 CA-C-N 119.401 1.001 . . . . 76.47 111.901 -178.465 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttt . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 114.602 1.334 . . . . 110.94 114.602 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . . . -104.28 128.04 51.99 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 120.725 -1.234 . . . . 88.77 108.47 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.71 164.21 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-O 122.036 0.922 . . . . 72.47 109.092 168.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -120.76 135.46 55.14 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.187 -1.412 . . . . 72.95 107.187 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -120.79 115.97 48.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.35 -1.352 . . . . 60.72 107.35 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLN . . . . . 0.611 ' HG2' ' OD2' ' B' ' 3' ' ' ASP . 2.0 tp-100 -80.18 96.65 6.62 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 107.371 -1.344 . . . . 97.14 107.371 171.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -87.24 123.55 32.37 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.024 -0.423 . . . . 59.86 110.258 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -107.3 116.55 51.17 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 C-N-CA 126.183 1.793 . . . . 56.83 107.785 171.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 39.8 m -116.13 132.46 56.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.093 0.473 . . . . 64.69 111.245 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -113.07 122.77 67.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 108.436 -0.95 . . . . 57.96 108.436 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' MET . . . . . . . . . . . . . 11.8 ttp -144.05 133.22 22.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.574 0.702 . . . . 81.76 111.754 172.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -101.17 126.75 47.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.923 -0.58 . . . . 93.18 109.977 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.65 162.13 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 122.263 1.03 . . . . 74.41 108.517 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.37 148.56 41.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.606 -1.257 . . . . 77.02 107.606 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -135.01 139.2 44.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 120.43 -0.508 . . . . 87.08 110.254 -175.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . . . -98.43 111.05 23.53 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.09 -1.078 . . . . 85.44 108.09 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -135.56 167.24 25.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.481 -0.933 . . . . 79.56 108.481 -167.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . . . -109.13 144.45 29.72 Favored Pre-proline 0 N--CA 1.449 -0.486 0 C-N-CA 127.886 2.475 . . . . 91.3 109.536 165.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -49.41 -23.0 6.73 Favored 'Trans proline' 0 C--O 1.239 0.552 0 CA-C-N 118.043 0.337 . . . . 88.42 112.226 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -88.16 -4.62 58.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 120.218 -0.593 . . . . 114.96 112.411 -172.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -65.39 136.47 56.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 100.74 111.044 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 37.7 p -77.35 165.36 24.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 119.583 -0.847 . . . . 98.37 110.307 172.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -49.08 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.415 -0.811 . . . . 75.74 110.847 172.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -45.83 -47.71 15.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 122.289 -0.257 . . . . 115.86 111.334 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -58.55 -44.82 89.79 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.045 0.45 . . . . 108.28 111.117 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 t -62.68 -42.48 96.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.251 -0.98 . . . . 71.18 110.287 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.3 -34.14 76.01 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.514 -0.874 . . . . 68.19 110.977 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.39 93.59 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 120.588 -0.445 . . . . 70.93 111.759 174.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -63.74 -32.93 74.58 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.681 -1.208 . . . . 82.64 110.791 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.64 -33.89 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 118.694 -1.203 . . . . 65.41 109.743 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -64.33 -48.09 76.9 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.099 0.476 . . . . 91.06 110.657 174.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -57.74 -36.7 72.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.87 -0.605 . . . . 118.34 111.325 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -90.02 -35.92 15.23 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.779 1.029 . . . . 84.48 113.779 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -117.67 -11.21 10.43 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 115.597 1.702 . . . . 80.16 115.597 -171.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 4.54 90.17 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-O 118.964 -0.909 . . . . 86.24 115.3 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.62 119.68 77.85 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 118.682 1.241 . . . . 73.67 109.616 173.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.44 136.86 75.73 Favored 'Trans proline' 0 C--O 1.245 0.841 0 C-N-CA 120.753 0.969 . . . . 77.75 111.133 172.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.16 -26.34 42.62 Favored 'Trans proline' 0 N--CA 1.484 0.967 0 O-C-N 122.594 0.786 . . . . 76.93 113.299 -172.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.38 -10.5 59.49 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.676 0.79 . . . . 104.69 113.124 177.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -95.84 5.32 51.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.083 0.772 . . . . 81.45 113.083 167.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -101.76 131.9 47.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.519 1.128 . . . . 68.97 111.142 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -126.28 104.72 8.36 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.591 -2.003 . . . . 91.71 105.591 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.33 137.02 32.69 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.024 -0.989 . . . . 60.04 108.466 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -131.99 134.01 60.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 115.412 -0.813 . . . . 56.6 109.097 -170.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -151.56 146.32 25.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.576 -0.527 . . . . 63.4 109.576 173.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.08 48.39 1.08 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.618 0.723 . . . . 57.15 111.249 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.97 15.48 78.93 Favored Glycine 0 CA--C 1.5 -0.864 0 C-N-CA 118.898 -1.62 . . . . 53.55 115.383 167.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mtp -136.6 150.39 48.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.242 1.021 . . . . 68.25 110.164 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -78.68 136.33 37.42 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 124.141 0.976 . . . . 65.94 108.836 161.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.78 144.0 28.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 117.512 -1.675 . . . . 65.05 109.259 -169.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -94.64 139.6 30.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 110.64 109.82 -173.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -57.95 -42.23 84.49 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.538 -0.755 . . . . 90.76 112.086 -165.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 11.6 49.7 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 115.821 1.088 . . . . 88.96 115.821 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -99.91 162.06 13.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.503 1.651 . . . . 94.27 110.046 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' C' ' 58' ' ' ASP . 38.3 p -100.94 160.33 14.46 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.669 0.747 . . . . 82.0 110.104 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.02 -35.55 69.4 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.896 -1.047 . . . . 77.88 111.654 175.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . . . -65.03 -34.98 79.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.525 -0.87 . . . . 77.4 110.698 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' C' ' 55' ' ' THR . 65.8 m-20 -53.58 -30.6 42.97 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 120.003 -0.679 . . . . 90.97 111.537 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.94 14.82 28.81 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 118.742 -0.647 . . . . 64.33 111.947 -176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 50.59 37.13 15.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.577 0.704 . . . . 80.0 111.17 -176.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 25.5 mt -79.23 112.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.5 -1.667 . . . . 72.68 106.5 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . . . -108.66 177.98 4.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.106 -1.072 . . . . 83.28 108.106 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -68.4 151.47 46.8 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.676 -1.61 . . . . 108.12 110.238 -175.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 54.5 24.89 5.66 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.105 -0.952 . . . . 100.16 112.884 -166.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -67.16 147.89 52.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.72 -1.215 . . . . 76.48 107.72 167.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -112.42 109.7 19.46 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.221 -1.4 . . . . 114.14 107.221 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.33 163.04 12.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.628 0.727 . . . . 63.61 109.622 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -113.91 155.68 25.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.666 0.746 . . . . 77.26 110.66 167.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -139.6 130.69 26.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.276 -1.009 . . . . 80.1 108.276 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.99 124.41 72.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 107.511 -1.292 . . . . 59.18 107.511 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -135.6 157.56 46.57 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.811 0.815 . . . . 59.18 110.68 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -109.95 136.58 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.118 -1.401 . . . . 76.3 109.129 166.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt -126.09 155.78 41.04 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.351 1.061 . . . . 76.01 109.499 172.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . . . -86.92 -34.21 19.45 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.239 -0.437 . . . . 89.31 110.639 170.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' SER . . . . . . . . . . . . . . . -149.38 153.76 37.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.669 -1.234 . . . . 80.25 107.669 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 121.34 111.726 -178.994 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 112.401 0.519 . . . . 64.819999999999993 112.401 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -70.22 -38.43 6.81 Favored 'Trans proline' 0 CA--C 1.508 -0.777 0 O-C-N 122.813 0.901 . . . . 73.909999999999997 112.88 -157.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . . . -75.18 -35.06 61.61 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 118.857 -1.137 . . . . 66.950000000000003 110.887 -173.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.611 ' OD2' ' HG2' ' C' ' 6' ' ' GLN . 87.9 m-20 -70.76 -37.36 73.4 Favored 'General case' 0 C--O 1.249 1.069 0 C-N-CA 119.079 -1.048 . . . . 69.590000000000003 111.088 173.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.8 -45.88 91.93 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.329 -0.549 . . . . 72.810000000000002 110.946 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.64 -41.17 98.89 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 118.122 -1.431 . . . . 98.840000000000003 110.461 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.54 -48.29 82.43 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 118.628 -1.229 . . . . 89.090000000000003 111.579 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 mt -65.33 -33.65 76.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.672 -0.643 . . . . 61.920000000000002 111.854 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 60.2 mt -63.18 -47.35 92.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 121.88 0.847 . . . . 52.380000000000003 109.633 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -59.53 -36.85 76.92 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.346 -0.843 . . . . 91.769999999999996 110.229 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -71.38 -39.0 71.5 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.255 -0.978 . . . . 66.849999999999994 111.653 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.47 -34.72 72.71 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 122.186 -0.321 . . . . 60.829999999999998 110.435 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.52 -46.44 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 120.902 0.382 . . . . 65.950000000000003 110.308 172.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -58.0 -51.63 68.88 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.931 -0.48 . . . . 92.150000000000006 110.792 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.42 -30.43 66.87 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.134 -1.026 . . . . 62.530000000000001 111.507 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.9 p -75.29 7.6 3.35 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 113.328 0.862 . . . . 73.030000000000001 113.328 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--O 1.241 0.64 0 CA-C-N 119.401 1.001 . . . . 76.469999999999999 111.901 -178.465 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttt . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 114.602 1.334 . . . . 110.94 114.602 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . . . -104.28 128.04 51.99 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 120.725 -1.234 . . . . 88.769999999999996 108.47 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.71 164.21 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-O 122.036 0.922 . . . . 72.469999999999999 109.092 168.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -120.76 135.46 55.14 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.187 -1.412 . . . . 72.950000000000003 107.187 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -120.79 115.97 48.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 N-CA-C 107.35 -1.352 . . . . 60.719999999999999 107.35 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.611 ' HG2' ' OD2' ' B' ' 3' ' ' ASP . 2.0 tp-100 -80.18 96.65 6.62 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 107.371 -1.344 . . . . 97.140000000000001 107.371 171.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -87.24 123.55 32.37 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.024 -0.423 . . . . 59.859999999999999 110.258 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -107.3 116.55 51.17 Favored 'Isoleucine or valine' 0 C--O 1.248 0.997 0 C-N-CA 126.183 1.793 . . . . 56.829999999999998 107.785 171.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 39.8 m -116.13 132.46 56.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.093 0.473 . . . . 64.689999999999998 111.245 -173.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -113.07 122.77 67.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 108.436 -0.95 . . . . 57.960000000000001 108.436 -174.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' MET . . . . . . . . . . . . . 11.8 ttp -144.05 133.22 22.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.574 0.702 . . . . 81.760000000000005 111.754 172.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -101.17 126.75 47.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.923 -0.58 . . . . 93.180000000000007 109.977 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.65 162.13 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 122.263 1.03 . . . . 74.409999999999997 108.517 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.37 148.56 41.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.606 -1.257 . . . . 77.019999999999996 107.606 174.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -135.01 139.2 44.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 120.43 -0.508 . . . . 87.079999999999998 110.254 -175.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . . . -98.43 111.05 23.53 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.09 -1.078 . . . . 85.439999999999998 108.09 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -135.56 167.24 25.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.481 -0.933 . . . . 79.560000000000002 108.481 -167.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . . . -109.13 144.45 29.72 Favored Pre-proline 0 N--CA 1.449 -0.486 0 C-N-CA 127.886 2.475 . . . . 91.299999999999997 109.536 165.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -49.41 -23.0 6.73 Favored 'Trans proline' 0 C--O 1.239 0.552 0 CA-C-N 118.043 0.337 . . . . 88.420000000000002 112.226 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -88.16 -4.62 58.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 120.218 -0.593 . . . . 114.95999999999999 112.411 -172.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -65.39 136.47 56.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.174 0.511 . . . . 100.73999999999999 111.044 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 37.7 p -77.35 165.36 24.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 119.583 -0.847 . . . . 98.370000000000005 110.307 172.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -49.08 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.415 -0.811 . . . . 75.739999999999995 110.847 172.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -45.83 -47.71 15.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 122.289 -0.257 . . . . 115.86 111.334 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -58.55 -44.82 89.79 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.045 0.45 . . . . 108.28 111.117 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 27.9 t -62.68 -42.48 96.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.251 -0.98 . . . . 71.180000000000007 110.287 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.3 -34.14 76.01 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.514 -0.874 . . . . 68.189999999999998 110.977 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.39 93.59 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 120.588 -0.445 . . . . 70.930000000000007 111.759 174.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -63.74 -32.93 74.58 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.681 -1.208 . . . . 82.640000000000001 110.791 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.64 -33.89 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 118.694 -1.203 . . . . 65.409999999999997 109.743 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -64.33 -48.09 76.9 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.099 0.476 . . . . 91.060000000000002 110.657 174.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -57.74 -36.7 72.42 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.87 -0.605 . . . . 118.34 111.325 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -90.02 -35.92 15.23 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.779 1.029 . . . . 84.480000000000004 113.779 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -117.67 -11.21 10.43 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 115.597 1.702 . . . . 80.159999999999997 115.597 -171.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 4.54 90.17 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-O 118.964 -0.909 . . . . 86.239999999999995 115.3 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.62 119.68 77.85 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-N 118.682 1.241 . . . . 73.670000000000002 109.616 173.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.44 136.86 75.73 Favored 'Trans proline' 0 C--O 1.245 0.841 0 C-N-CA 120.753 0.969 . . . . 77.75 111.133 172.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.16 -26.34 42.62 Favored 'Trans proline' 0 N--CA 1.484 0.967 0 O-C-N 122.594 0.786 . . . . 76.930000000000007 113.299 -172.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.38 -10.5 59.49 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.676 0.79 . . . . 104.69 113.124 177.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -95.84 5.32 51.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.083 0.772 . . . . 81.450000000000003 113.083 167.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -101.76 131.9 47.79 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.519 1.128 . . . . 68.969999999999999 111.142 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -126.28 104.72 8.36 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.591 -2.003 . . . . 91.709999999999994 105.591 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.33 137.02 32.69 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.024 -0.989 . . . . 60.039999999999999 108.466 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -131.99 134.01 60.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-N 115.412 -0.813 . . . . 56.600000000000001 109.097 -170.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -151.56 146.32 25.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.576 -0.527 . . . . 63.399999999999999 109.576 173.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.08 48.39 1.08 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.618 0.723 . . . . 57.149999999999999 111.249 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.97 15.48 78.93 Favored Glycine 0 CA--C 1.5 -0.864 0 C-N-CA 118.898 -1.62 . . . . 53.549999999999997 115.383 167.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mtp -136.6 150.39 48.54 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.242 1.021 . . . . 68.25 110.164 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -78.68 136.33 37.42 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 124.141 0.976 . . . . 65.939999999999998 108.836 161.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.78 144.0 28.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 117.512 -1.675 . . . . 65.049999999999997 109.259 -169.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -94.64 139.6 30.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 110.64 109.82 -173.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -57.95 -42.23 84.49 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.538 -0.755 . . . . 90.760000000000005 112.086 -165.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.36 11.6 49.7 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 115.821 1.088 . . . . 88.959999999999994 115.821 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -99.91 162.06 13.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.503 1.651 . . . . 94.269999999999996 110.046 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' C' ' 58' ' ' ASP . 38.3 p -100.94 160.33 14.46 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.669 0.747 . . . . 82.0 110.104 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.02 -35.55 69.4 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.896 -1.047 . . . . 77.879999999999995 111.654 175.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . . . -65.03 -34.98 79.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.525 -0.87 . . . . 77.400000000000006 110.698 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' C' ' 55' ' ' THR . 65.8 m-20 -53.58 -30.6 42.97 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 120.003 -0.679 . . . . 90.969999999999999 111.537 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -104.94 14.82 28.81 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 118.742 -0.647 . . . . 64.329999999999998 111.947 -176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 50.59 37.13 15.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.577 0.704 . . . . 80.0 111.17 -176.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 25.5 mt -79.23 112.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.5 -1.667 . . . . 72.680000000000007 106.5 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . . . -108.66 177.98 4.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.106 -1.072 . . . . 83.280000000000001 108.106 -172.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -68.4 151.47 46.8 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.676 -1.61 . . . . 108.12 110.238 -175.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 54.5 24.89 5.66 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.105 -0.952 . . . . 100.16 112.884 -166.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -67.16 147.89 52.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.72 -1.215 . . . . 76.480000000000004 107.72 167.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -112.42 109.7 19.46 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.221 -1.4 . . . . 114.14 107.221 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.33 163.04 12.87 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.628 0.727 . . . . 63.609999999999999 109.622 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -113.91 155.68 25.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.666 0.746 . . . . 77.260000000000005 110.66 167.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -139.6 130.69 26.45 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.276 -1.009 . . . . 80.099999999999994 108.276 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.99 124.41 72.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 N-CA-C 107.511 -1.292 . . . . 59.18 107.511 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -135.6 157.56 46.57 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.811 0.815 . . . . 59.18 110.68 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' SER . . . . . . . . . . . . . 23.2 m -109.95 136.58 49.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.118 -1.401 . . . . 76.299999999999997 109.129 166.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt -126.09 155.78 41.04 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.351 1.061 . . . . 76.010000000000005 109.499 172.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . . . -86.92 -34.21 19.45 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.239 -0.437 . . . . 89.310000000000002 110.639 170.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' SER . . . . . . . . . . . . . . . -149.38 153.76 37.88 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.669 -1.234 . . . . 80.25 107.669 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 121.34 111.726 -178.994 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_