data_6kk2_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 6kk2 _Structure_validation_residue.Date_analyzed 2020-06-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.725 0.774 . . . . 90.48 112.691 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.2 mtt -89.19 148.07 23.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.115 -0.948 . . . . 71.81 109.878 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -138.82 160.37 39.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.869 -1.16 . . . . 62.4 107.869 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 pt -118.19 149.3 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 108.756 -0.831 . . . . 45.64 108.756 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -141.65 137.44 31.81 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.419 -0.586 . . . . 68.32 109.419 176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . 0.54 ' NH2' ' OD1' ' A' ' 58' ' ' ASP . 62.2 ttt-85 -69.11 138.46 54.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.453 -0.794 . . . . 63.44 110.709 -171.707 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.11 -3.47 8.05 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 114.328 1.233 . . . . 43.7 114.328 -176.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.23 179.17 31.95 Favored Glycine 0 C--O 1.241 0.546 0 C-N-CA 120.0 -1.095 . . . . 46.11 113.2 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 88.2 m-20 -84.13 167.11 17.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 113.693 -1.253 . . . . 70.35 109.587 172.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.9 mm -104.55 98.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.94 -1.874 . . . . 64.28 105.94 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 p -146.64 144.14 29.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.906 0.384 . . . . 66.36 110.579 -170.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -72.31 134.83 45.73 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.716 -0.675 . . . . 61.08 109.671 171.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.38 112.93 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.746 -0.835 . . . . 98.17 108.746 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.64 -38.87 79.04 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.277 0.36 . . . . 80.25 111.13 177.246 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . . . -95.49 39.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.457 0.703 . . . . 83.47 111.736 -175.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.81 143.93 30.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.65 -0.656 . . . . 66.14 110.267 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.75 146.3 51.58 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.76 -0.655 . . . . 93.16 110.023 167.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.1 t -117.68 124.4 73.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.306 -0.998 . . . . 76.48 108.306 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -152.65 -175.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.7 -0.852 . . . . 75.45 108.7 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.23 140.95 2.08 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.797 -0.638 . . . . 69.07 113.61 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -94.34 -168.97 1.95 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.62 -0.882 . . . . 101.88 108.62 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -136.0 73.69 58.5 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 109.17 -0.678 . . . . 62.6 109.17 -172.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.66 147.84 32.04 Favored 'Trans proline' 0 C--N 1.329 -0.496 0 CA-C-O 122.221 0.842 . . . . 64.55 113.102 -177.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -106.54 112.56 25.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.165 -0.925 . . . . 101.13 108.986 171.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.6 141.92 47.81 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.434 1.094 . . . . 74.26 110.684 -175.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.93 113.73 25.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.208 -1.034 . . . . 91.1 108.208 172.771 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -127.07 158.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.815 0.817 . . . . 59.2 109.781 -170.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.07 141.79 48.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.299 -0.864 . . . . 55.46 109.432 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -109.54 118.02 35.49 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.471 -0.937 . . . . 55.75 108.471 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -87.52 176.94 7.24 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.664 0.745 . . . . 65.1 110.595 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.71 -22.61 65.25 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.228 -0.589 . . . . 89.81 112.313 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -84.39 5.22 27.97 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 113.895 1.072 . . . . 67.65 113.895 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.88 15.8 71.84 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 115.198 0.839 . . . . 50.06 115.198 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . 0.599 ' OD1' ' N31' ' B' ' 201' ' ' D9U . 80.2 m-20 -105.9 134.69 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.086 0.943 . . . . 63.95 109.375 -176.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.92 142.07 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.197 0.522 . . . . 50.55 110.13 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.7 p -133.1 145.62 50.89 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.173 -0.677 . . . . 74.29 109.173 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.51 145.57 34.86 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.455 0.645 . . . . 74.34 110.446 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.681 -0.69 . . . . 82.96 109.575 175.916 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.472 0.545 . . . . 81.98 112.472 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . 0.796 ' O ' ' O ' ' B' ' 302' ' ' HOH . 3.1 p -119.77 14.81 12.61 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 122.67 0.388 . . . . 70.38 111.986 172.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -59.02 134.04 56.64 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.8 0.333 . . . . 59.54 110.399 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -49.46 143.49 6.64 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 116.115 -0.493 . . . . 57.95 110.322 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.47 -169.8 31.03 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.952 -1.259 . . . . 43.82 109.952 174.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.34 141.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 49.05 108.04 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -132.28 146.64 52.14 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.943 0.401 . . . . 52.85 110.105 -173.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -83.66 143.76 29.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.149 -0.686 . . . . 53.38 109.149 169.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.9 117.04 50.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 107.236 -1.394 . . . . 41.41 107.236 170.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 54.5 mmm -116.2 150.39 37.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.514 0.726 . . . . 44.72 109.667 -172.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.1 t -131.71 158.36 41.36 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.52 0.676 . . . . 54.15 109.646 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -122.21 13.72 10.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.351 -0.841 . . . . 95.11 112.418 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . . . -67.35 -18.24 65.07 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.186 -0.606 . . . . 73.55 111.985 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.08 -167.03 1.13 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.718 0.771 . . . . 68.26 110.221 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -64.66 134.3 53.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.563 -0.744 . . . . 60.65 110.376 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.84 -147.79 28.8 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-O 122.087 0.826 . . . . 55.45 112.246 -177.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.6 123.65 48.78 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.025 -1.102 . . . . 58.53 108.025 170.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 99.1 m -113.33 133.36 55.17 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.24 1.016 . . . . 56.37 109.626 -173.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.41 116.32 24.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.691 -1.225 . . . . 41.9 107.691 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.85 -14.41 7.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-O 119.083 -0.484 . . . . 45.06 112.121 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.27 -165.2 34.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.12 -1.038 . . . . 32.54 112.139 -179.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -140.06 155.02 23.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.78 1.232 . . . . 37.49 108.464 -172.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.22 172.24 30.07 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 119.62 -1.276 . . . . 34.97 112.844 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 62.3 t -121.02 126.21 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.789 -1.189 . . . . 41.15 107.789 -176.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 45.9 tpp -95.95 125.23 40.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.897 -1.149 . . . . 57.74 107.897 171.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -151.91 132.51 13.92 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.763 -0.829 . . . . 57.51 108.763 174.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 51.9 42.62 30.29 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.809 0.693 . . . . 67.92 111.621 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.06 18.32 74.55 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 116.229 1.252 . . . . 45.86 116.229 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.91 135.31 64.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.725 1.262 . . . . 36.46 108.14 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -97.06 127.27 42.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.021 -0.733 . . . . 41.22 109.021 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -116.3 129.52 56.31 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 108.714 -0.847 . . . . 34.11 108.714 -175.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 14.0 t -149.97 -173.83 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 118.96 -1.096 . . . . 34.57 109.201 171.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.9 mtp -90.76 147.01 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.555 0.693 . . . . 50.88 110.744 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -56.87 -43.59 81.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.012 -0.995 . . . . 57.34 111.285 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -70.39 -9.23 55.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.339 -1.344 . . . . 41.93 112.21 -172.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 49.9 t -75.05 -50.27 25.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.923 -0.711 . . . . 40.05 110.445 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -107.3 -17.78 14.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.15 0.796 . . . . 43.89 113.15 -173.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 53.08 34.96 18.38 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.159 0.984 . . . . 60.04 111.71 -172.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.31 87.72 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-O 119.065 -0.853 . . . . 50.62 115.159 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.13 150.44 40.48 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 118.277 1.039 . . . . 50.66 112.357 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.59 151.72 5.7 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.481 -1.236 . . . . 55.8 110.838 170.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -129.8 154.4 47.28 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.452 -0.795 . . . . 53.21 109.067 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -111.72 136.27 51.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.197 -0.911 . . . . 73.94 109.2 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -124.89 94.64 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.673 -1.603 . . . . 70.84 106.673 172.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.74 -110.66 3.14 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.363 -0.695 . . . . 84.89 111.363 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . . . -92.75 -15.58 26.47 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.921 0.712 . . . . 82.85 112.921 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.56 172.5 32.98 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-O 122.026 0.792 . . . . 80.54 113.074 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -129.63 127.05 39.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.828 -0.686 . . . . 78.09 110.216 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.7 117.58 34.97 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.799 -0.815 . . . . 60.92 108.799 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.56 159.86 29.3 Favored Pre-proline 0 C--O 1.253 1.281 0 C-N-CA 113.162 -3.415 . . . . 78.47 111.846 175.102 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.31 144.73 69.3 Favored 'Trans proline' 0 C--O 1.234 0.321 0 CA-C-O 121.943 0.726 . . . . 52.01 112.065 -173.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -117.53 -41.6 2.94 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.079 -0.964 . . . . 39.68 111.671 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -146.83 141.06 26.25 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.96 -0.756 . . . . 45.13 108.96 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.05 155.54 26.46 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.875 -0.49 . . . . 41.05 111.875 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.33 113.3 3.92 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 108.143 -1.058 . . . . 63.05 108.143 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.61 -34.36 64.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.421 -0.512 . . . . 41.92 111.221 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.82 -40.94 79.21 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.192 -1.403 . . . . 57.44 110.483 -173.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -73.9 -21.25 60.14 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 119.024 -0.512 . . . . 70.9 112.201 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 29.9 t0 61.36 45.5 8.56 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.268 0.627 . . . . 43.86 111.691 -176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.4 mt -134.05 155.65 49.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.162 0.506 . . . . 34.69 110.01 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 p -152.48 146.04 15.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.236 -1.024 . . . . 42.28 108.236 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 51.8 p -125.19 144.7 50.32 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.032 -0.729 . . . . 35.78 109.032 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -119.08 141.52 48.69 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 124.364 1.066 . . . . 43.24 108.902 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' CYS . . . . . 0.806 ' SG ' ' O ' ' B' ' 329' ' ' HOH . 22.8 m 69.47 3.69 4.3 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.469 2.308 . . . . 47.71 113.276 177.4 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.96 179.02 39.25 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 119.216 0.916 . . . . 37.44 113.286 -177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.09 155.07 37.89 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 120.472 0.781 . . . . 40.4 112.6 -177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -45.76 123.93 4.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 113.968 -1.469 . . . . 39.99 111.294 176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -106.04 -13.84 15.35 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.27 1.211 . . . . 55.49 114.27 -175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -90.18 118.29 29.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 118.79 0.723 . . . . 46.38 109.577 -172.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -128.8 1.63 5.41 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 114.629 1.344 . . . . 68.66 114.629 -175.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.71 159.34 33.69 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 119.166 0.894 . . . . 41.91 110.052 174.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.56 151.92 38.89 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.871 0.844 . . . . 49.58 110.044 -176.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -50.47 123.02 7.89 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 114.504 -1.225 . . . . 50.58 108.726 175.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ASP . . . . . 0.41 ' OD2' ' OG ' ' B' ' 93' ' ' SER . 28.7 p-10 -65.28 0.53 1.38 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.084 -0.646 . . . . 68.87 110.161 -175.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.37 -54.15 3.86 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.714 -0.676 . . . . 72.28 112.438 -166.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.13 -35.99 9.83 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.422 -1.311 . . . . 78.25 113.73 -161.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . 0.41 ' OG ' ' OD2' ' B' ' 90' ' ' ASP . 1.3 m -74.03 155.13 38.87 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 120.316 -1.49 . . . . 71.6 112.744 -168.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.82 157.96 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 117.941 -1.504 . . . . 72.87 109.906 163.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 5.7 m -125.07 -179.36 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.248 -0.649 . . . . 46.3 109.248 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -134.36 129.33 35.26 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.029 -0.532 . . . . 49.85 109.997 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.5 tp -86.27 119.27 26.37 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.074 -1.084 . . . . 38.73 108.074 166.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 20.7 tp -89.09 82.83 6.56 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 106.378 -1.712 . . . . 46.92 106.378 171.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.62 132.12 40.41 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.09 -1.413 . . . . 38.64 109.979 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -120.27 80.46 28.61 Favored Pre-proline 0 C--O 1.245 0.818 0 N-CA-C 108.203 -1.036 . . . . 43.18 108.203 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.33 153.96 56.1 Favored 'Trans proline' 0 CA--C 1.51 -0.683 0 N-CA-C 109.951 -0.827 . . . . 39.23 109.951 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.77 136.05 71.2 Favored 'Trans proline' 0 C--O 1.229 0.066 0 CA-C-O 121.192 0.413 . . . . 47.17 111.504 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.92 9.63 21.72 Favored Glycine 0 C--N 1.334 0.456 0 N-CA-C 115.391 0.917 . . . . 43.57 115.391 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -127.64 157.98 38.77 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 121.176 -1.191 . . . . 68.19 109.678 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -75.81 152.92 37.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 118.903 -1.119 . . . . 91.92 111.165 -174.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.89 137.29 56.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.25 -1.341 . . . . 46.58 109.511 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -144.62 131.31 20.05 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.064 -0.717 . . . . 71.1 109.064 -171.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -86.63 131.26 34.2 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.441 0.463 . . . . 58.61 110.424 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.97 124.52 69.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 107.762 -1.199 . . . . 55.45 107.762 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -97.12 137.06 36.75 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.64 -0.424 . . . . 66.67 110.046 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 4.9 t -153.91 160.41 42.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.178 -1.009 . . . . 46.67 108.854 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.01 115.92 65.09 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.728 -0.669 . . . . 44.48 109.512 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 144.73 99.33 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 CA-C-N 119.232 0.761 . . . . 47.0 111.557 -175.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.3 -164.54 38.95 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 109.021 -1.632 . . . . 44.38 109.021 158.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.2 mt -135.27 129.03 49.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 122.631 -0.335 . . . . 59.62 110.137 -172.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -88.29 118.41 27.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.492 -1.299 . . . . 46.0 107.492 162.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -102.75 112.02 24.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.767 -1.198 . . . . 75.02 107.767 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 21.8 p -110.3 171.57 7.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.434 0.635 . . . . 69.33 109.584 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.6 -14.22 62.75 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.398 -0.819 . . . . 73.71 111.536 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -103.25 0.54 31.73 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.064 0.765 . . . . 74.31 113.064 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.48 -177.16 18.49 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.104 -0.798 . . . . 61.5 111.104 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.54 141.15 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.427 -0.386 . . . . 80.34 110.742 -175.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 3.9 mt -125.39 135.82 62.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 123.973 0.909 . . . . 50.6 108.767 173.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.32 153.14 23.76 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.038 -1.077 . . . . 43.37 111.176 169.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.86 30.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.853 -0.795 . . . . 43.71 108.853 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.38 129.63 72.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.096 -0.705 . . . . 43.35 109.096 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -94.96 77.47 3.57 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 122.546 1.165 . . . . 49.5 108.174 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.21 134.57 38.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.618 -1.174 . . . . 47.86 108.642 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -112.52 117.43 32.33 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.889 -0.782 . . . . 62.97 108.889 -173.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.93 161.49 63.4 Favored Pre-proline 0 CA--C 1.51 -0.574 0 N-CA-C 108.615 -0.883 . . . . 81.06 108.615 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -58.69 158.05 25.5 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 120.369 0.712 . . . . 44.88 112.035 178.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.66 72.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.73 -1.123 . . . . 55.11 111.041 -174.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.34 4.35 1.99 Allowed Glycine 0 C--O 1.24 0.517 0 N-CA-C 115.23 0.852 . . . . 38.74 115.23 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 6.0 m -91.28 -7.38 51.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 118.83 -0.605 . . . . 40.93 112.19 174.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 51.4 m -53.21 131.22 36.73 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.052 0.453 . . . . 38.76 111.154 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.22 -5.84 45.85 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-O 119.222 -0.766 . . . . 31.0 114.119 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 41.3 m -67.56 134.49 92.75 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 118.19 0.995 . . . . 36.57 109.913 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.3 143.11 34.71 Favored 'Trans proline' 0 C--N 1.332 -0.306 0 CA-C-O 121.522 0.551 . . . . 35.83 112.554 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ILE . . . . . . . . . . . . . 8.0 mt -100.02 137.59 27.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 107.531 -1.285 . . . . 39.51 107.531 162.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 mp -126.27 150.71 48.26 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.715 0.293 . . . . 63.92 111.069 -173.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -88.72 179.73 6.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.011 0.91 . . . . 48.72 109.888 168.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.67 -0.695 . . . . 58.39 111.955 -172.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.9 11.01 4.27 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.148 0.425 . . . . 73.69 112.148 -179.668 -86.1 0.0 0.0 0.0 0.0 0.0 0.0 -86.1 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.71 4.37 88.97 Favored Glycine 0 C--N 1.339 0.731 0 N-CA-C 116.969 1.548 . . . . 50.71 116.969 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -85.97 140.93 29.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.631 . . . . 69.04 110.952 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 86.9 t -73.76 118.61 19.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 108.392 -0.966 . . . . 37.6 108.392 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.15 -1.05 9.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 112.375 0.509 . . . . 38.9 112.375 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 163.58 -179.77 38.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 108.726 -1.749 . . . . 35.48 108.726 171.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.8 152.85 32.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.988 -0.606 . . . . 32.08 109.869 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -98.66 151.5 20.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.233 1.013 . . . . 40.87 110.9 -175.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 121.49 0.45 11.19 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 117.496 1.758 . . . . 44.45 117.496 170.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -119.06 112.84 20.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.727 1.263 . . . . 49.5 108.445 170.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -161.69 -144.29 3.95 Favored Glycine 0 C--O 1.239 0.467 0 C-N-CA 120.315 -0.945 . . . . 46.15 115.136 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 28.5 m -133.22 167.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-O 121.745 0.784 . . . . 56.79 109.101 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.84 126.15 72.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 106.844 -1.539 . . . . 65.27 106.844 169.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' ILE . . . . . . . . . . . . . 6.0 pt -104.84 -172.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 118.576 -1.25 . . . . 75.18 110.333 -170.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . . . -44.26 -51.9 7.95 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.396 0.887 . . . . 86.71 113.396 -169.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . . . -64.6 -21.1 66.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.31 0.855 . . . . 84.41 113.31 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' GLY . . . . . . . . . . . . . . . 101.01 -3.95 55.78 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 118.817 -0.991 . . . . 77.48 115.186 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 17.5 t -89.29 170.34 10.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.01 1.405 . . . . 69.56 111.115 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -99.43 140.72 33.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 114.658 -1.155 . . . . 59.98 111.233 -167.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.83 119.19 50.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 107.174 -1.417 . . . . 48.98 107.174 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' SER . . . . . . . . . . . . . 10.5 t -99.0 135.87 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 39.5 110.468 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . -61.95 151.42 35.0 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.742 -0.783 . . . . 39.59 110.023 167.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' ILE . . . . . . . . . . . . . 64.9 mt -85.89 95.45 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 105.591 -2.003 . . . . 39.91 105.591 164.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 79.6 m -91.23 115.2 27.83 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.855 -0.528 . . . . 33.22 110.544 -170.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -125.63 148.01 49.12 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.374 0.607 . . . . 38.66 110.428 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -94.72 -176.24 38.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 122.263 0.924 . . . . 50.08 111.747 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' LYS . . . . . 0.822 ' O ' ' O ' ' B' ' 301' ' ' HOH . . . -111.7 125.32 53.85 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.811 -0.811 . . . . 71.83 108.811 178.565 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -80.96 146.74 30.57 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.337 0.589 . . . . 76.01 111.0 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.462 0 CA-C-N 115.567 -0.742 . . . . 97.58 111.2 -175.501 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' D9U . . . . . 0.599 ' N31' ' OD1' ' A' ' 83' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . 0.822 ' O ' ' O ' ' B' ' 169' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . 0.796 ' O ' ' O ' ' B' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 329' ' ' HOH . . . . . 0.806 ' O ' ' SG ' ' B' ' 80' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.725 0.774 . . . . 90.48 112.691 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.2 mtt -89.19 148.07 23.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.115 -0.948 . . . . 71.81 109.878 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -138.82 160.37 39.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.869 -1.16 . . . . 62.4 107.869 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' B' ' 24' ' ' ARG . 19.4 pt -118.19 149.3 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 108.756 -0.831 . . . . 45.64 108.756 -176.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -141.65 137.44 31.81 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.419 -0.586 . . . . 68.32 109.419 176.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -69.11 138.46 54.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.453 -0.794 . . . . 63.44 110.709 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.11 -3.47 8.05 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 114.328 1.233 . . . . 43.7 114.328 -176.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.23 179.17 31.95 Favored Glycine 0 C--O 1.241 0.546 0 C-N-CA 120.0 -1.095 . . . . 46.11 113.2 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -84.13 167.11 17.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 113.693 -1.253 . . . . 70.35 109.587 172.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.9 mm -104.55 98.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.94 -1.874 . . . . 64.28 105.94 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 p -146.64 144.14 29.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.906 0.384 . . . . 66.36 110.579 -170.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' B' ' 142' ' ' LYS . 60.1 t-105 -72.31 134.83 45.73 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.716 -0.675 . . . . 61.08 109.671 171.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.38 112.93 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.746 -0.835 . . . . 98.17 108.746 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HE2' ' H ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -58.64 -38.87 79.04 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.277 0.36 . . . . 80.25 111.13 177.246 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . . . -95.49 39.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.457 0.703 . . . . 83.47 111.736 -175.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.81 143.93 30.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.65 -0.656 . . . . 66.14 110.267 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.75 146.3 51.58 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.76 -0.655 . . . . 93.16 110.023 167.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' B' ' 110' ' ' GLN . 18.1 t -117.68 124.4 73.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.306 -0.998 . . . . 76.48 108.306 -175.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -152.65 -175.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.7 -0.852 . . . . 75.45 108.7 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.23 140.95 2.08 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.797 -0.638 . . . . 69.07 113.61 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -94.34 -168.97 1.95 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.62 -0.882 . . . . 101.88 108.62 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -136.0 73.69 58.5 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 109.17 -0.678 . . . . 62.6 109.17 -172.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.66 147.84 32.04 Favored 'Trans proline' 0 C--N 1.329 -0.496 0 CA-C-O 122.221 0.842 . . . . 64.55 113.102 -177.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -106.54 112.56 25.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.165 -0.925 . . . . 101.13 108.986 171.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.6 141.92 47.81 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.434 1.094 . . . . 74.26 110.684 -175.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.93 113.73 25.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.208 -1.034 . . . . 91.1 108.208 172.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -127.07 158.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.815 0.817 . . . . 59.2 109.781 -170.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.07 141.79 48.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.299 -0.864 . . . . 55.46 109.432 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -109.54 118.02 35.49 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.471 -0.937 . . . . 55.75 108.471 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -87.52 176.94 7.24 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.664 0.745 . . . . 65.1 110.595 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.71 -22.61 65.25 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.228 -0.589 . . . . 89.81 112.313 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -84.39 5.22 27.97 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 113.895 1.072 . . . . 67.65 113.895 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.88 15.8 71.84 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 115.198 0.839 . . . . 50.06 115.198 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . 0.599 ' OD1' ' N31' ' B' ' 201' ' ' D9U . 80.2 m-20 -105.9 134.69 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.086 0.943 . . . . 63.95 109.375 -176.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.92 142.07 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.197 0.522 . . . . 50.55 110.13 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.7 p -133.1 145.62 50.89 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.173 -0.677 . . . . 74.29 109.173 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.51 145.57 34.86 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.455 0.645 . . . . 74.34 110.446 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.681 -0.69 . . . . 82.96 109.575 175.916 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' OH ' ' B' ' 23' ' ' TYR . 32.9 tt0 . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.472 0.545 . . . . 81.98 112.472 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . 0.796 ' O ' ' O ' ' B' ' 302' ' ' HOH . 3.1 p -119.77 14.81 12.61 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 122.67 0.388 . . . . 70.38 111.986 172.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -59.02 134.04 56.64 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.8 0.333 . . . . 59.54 110.399 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -49.46 143.49 6.64 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 116.115 -0.493 . . . . 57.95 110.322 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.47 -169.8 31.03 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.952 -1.259 . . . . 43.82 109.952 174.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.34 141.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 49.05 108.04 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' B' ' 17' ' ' GLU . 24.2 m-85 -132.28 146.64 52.14 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.943 0.401 . . . . 52.85 110.105 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 84.8 mtt-85 -83.66 143.76 29.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.149 -0.686 . . . . 53.38 109.149 169.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.9 117.04 50.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 107.236 -1.394 . . . . 41.41 107.236 170.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 54.5 mmm -116.2 150.39 37.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.514 0.726 . . . . 44.72 109.667 -172.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.1 t -131.71 158.36 41.36 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.52 0.676 . . . . 54.15 109.646 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -122.21 13.72 10.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.351 -0.841 . . . . 95.11 112.418 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . . . -67.35 -18.24 65.07 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.186 -0.606 . . . . 73.55 111.985 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.08 -167.03 1.13 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.718 0.771 . . . . 68.26 110.221 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -64.66 134.3 53.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.563 -0.744 . . . . 60.65 110.376 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.84 -147.79 28.8 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-O 122.087 0.826 . . . . 55.45 112.246 -177.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.6 123.65 48.78 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.025 -1.102 . . . . 58.53 108.025 170.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 99.1 m -113.33 133.36 55.17 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.24 1.016 . . . . 56.37 109.626 -173.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' B' ' 102' ' ' PRO . 48.8 tt0 -86.41 116.32 24.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.691 -1.225 . . . . 41.9 107.691 173.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.85 -14.41 7.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-O 119.083 -0.484 . . . . 45.06 112.121 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.27 -165.2 34.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.12 -1.038 . . . . 32.54 112.139 -179.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -140.06 155.02 23.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.78 1.232 . . . . 37.49 108.464 -172.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.22 172.24 30.07 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 119.62 -1.276 . . . . 34.97 112.844 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 62.3 t -121.02 126.21 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.789 -1.189 . . . . 41.15 107.789 -176.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 45.9 tpp -95.95 125.23 40.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.897 -1.149 . . . . 57.74 107.897 171.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLN . . . . . 0.449 ' HG2' ' HG3' ' B' ' 43' ' ' GLU . 39.8 tt0 -151.91 132.51 13.92 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.763 -0.829 . . . . 57.51 108.763 174.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 42' ' ' GLN . 25.0 mt-10 51.9 42.62 30.29 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.809 0.693 . . . . 67.92 111.621 -178.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.06 18.32 74.55 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 116.229 1.252 . . . . 45.86 116.229 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.91 135.31 64.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.725 1.262 . . . . 36.46 108.14 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -97.06 127.27 42.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.021 -0.733 . . . . 41.22 109.021 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -116.3 129.52 56.31 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 108.714 -0.847 . . . . 34.11 108.714 -175.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 14.0 t -149.97 -173.83 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 118.96 -1.096 . . . . 34.57 109.201 171.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.9 mtp -90.76 147.01 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.555 0.693 . . . . 50.88 110.744 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -56.87 -43.59 81.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.012 -0.995 . . . . 57.34 111.285 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -70.39 -9.23 55.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.339 -1.344 . . . . 41.93 112.21 -172.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 49.9 t -75.05 -50.27 25.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.923 -0.711 . . . . 40.05 110.445 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -107.3 -17.78 14.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.15 0.796 . . . . 43.89 113.15 -173.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 53.08 34.96 18.38 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.159 0.984 . . . . 60.04 111.71 -172.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.31 87.72 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-O 119.065 -0.853 . . . . 50.62 115.159 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.13 150.44 40.48 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 118.277 1.039 . . . . 50.66 112.357 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.59 151.72 5.7 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.481 -1.236 . . . . 55.8 110.838 170.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -129.8 154.4 47.28 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.452 -0.795 . . . . 53.21 109.067 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -111.72 136.27 51.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.197 -0.911 . . . . 73.94 109.2 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -124.89 94.64 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.673 -1.603 . . . . 70.84 106.673 172.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.74 -110.66 3.14 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.363 -0.695 . . . . 84.89 111.363 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . . . -92.75 -15.58 26.47 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.921 0.712 . . . . 82.85 112.921 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.56 172.5 32.98 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-O 122.026 0.792 . . . . 80.54 113.074 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -129.63 127.05 39.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.828 -0.686 . . . . 78.09 110.216 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.7 117.58 34.97 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.799 -0.815 . . . . 60.92 108.799 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.56 159.86 29.3 Favored Pre-proline 0 C--O 1.253 1.281 0 C-N-CA 113.162 -3.415 . . . . 78.47 111.846 175.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.31 144.73 69.3 Favored 'Trans proline' 0 C--O 1.234 0.321 0 CA-C-O 121.943 0.726 . . . . 52.01 112.065 -173.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -117.53 -41.6 2.94 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.079 -0.964 . . . . 39.68 111.671 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -146.83 141.06 26.25 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.96 -0.756 . . . . 45.13 108.96 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.05 155.54 26.46 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.875 -0.49 . . . . 41.05 111.875 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.33 113.3 3.92 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 108.143 -1.058 . . . . 63.05 108.143 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.61 -34.36 64.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.421 -0.512 . . . . 41.92 111.221 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.82 -40.94 79.21 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.192 -1.403 . . . . 57.44 110.483 -173.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -73.9 -21.25 60.14 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 119.024 -0.512 . . . . 70.9 112.201 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 29.9 t0 61.36 45.5 8.56 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.268 0.627 . . . . 43.86 111.691 -176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.4 mt -134.05 155.65 49.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.162 0.506 . . . . 34.69 110.01 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 p -152.48 146.04 15.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.236 -1.024 . . . . 42.28 108.236 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 51.8 p -125.19 144.7 50.32 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.032 -0.729 . . . . 35.78 109.032 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -119.08 141.52 48.69 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 124.364 1.066 . . . . 43.24 108.902 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' CYS . . . . . 0.806 ' SG ' ' O ' ' B' ' 329' ' ' HOH . 22.8 m 69.47 3.69 4.3 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.469 2.308 . . . . 47.71 113.276 177.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.96 179.02 39.25 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 119.216 0.916 . . . . 37.44 113.286 -177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.09 155.07 37.89 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 120.472 0.781 . . . . 40.4 112.6 -177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -45.76 123.93 4.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 113.968 -1.469 . . . . 39.99 111.294 176.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -106.04 -13.84 15.35 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.27 1.211 . . . . 55.49 114.27 -175.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -90.18 118.29 29.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 118.79 0.723 . . . . 46.38 109.577 -172.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' B' ' 170' ' ' ARG . 33.6 p-10 -128.8 1.63 5.41 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 114.629 1.344 . . . . 68.66 114.629 -175.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.71 159.34 33.69 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 119.166 0.894 . . . . 41.91 110.052 174.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.56 151.92 38.89 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.871 0.844 . . . . 49.58 110.044 -176.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' TRP . . . . . 0.476 ' C ' ' H ' ' B' ' 91' ' ' GLY . 13.5 t90 -50.47 123.02 7.89 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 114.504 -1.225 . . . . 50.58 108.726 175.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -65.28 0.53 1.38 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.084 -0.646 . . . . 68.87 110.161 -175.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' B' ' 89' ' ' TRP . . . 89.37 -54.15 3.86 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.714 -0.676 . . . . 72.28 112.438 -166.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.13 -35.99 9.83 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.422 -1.311 . . . . 78.25 113.73 -161.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -74.03 155.13 38.87 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 120.316 -1.49 . . . . 71.6 112.744 -168.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.82 157.96 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 117.941 -1.504 . . . . 72.87 109.906 163.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 5.7 m -125.07 -179.36 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.248 -0.649 . . . . 46.3 109.248 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -134.36 129.33 35.26 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.029 -0.532 . . . . 49.85 109.997 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.5 tp -86.27 119.27 26.37 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.074 -1.084 . . . . 38.73 108.074 166.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 20.7 tp -89.09 82.83 6.56 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 106.378 -1.712 . . . . 46.92 106.378 171.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.62 132.12 40.41 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.09 -1.413 . . . . 38.64 109.979 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -120.27 80.46 28.61 Favored Pre-proline 0 C--O 1.245 0.818 0 N-CA-C 108.203 -1.036 . . . . 43.18 108.203 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.33 153.96 56.1 Favored 'Trans proline' 0 CA--C 1.51 -0.683 0 N-CA-C 109.951 -0.827 . . . . 39.23 109.951 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' PRO . . . . . 0.435 ' HB3' ' HB3' ' B' ' 35' ' ' GLN . 2.8 Cg_endo -58.77 136.05 71.2 Favored 'Trans proline' 0 C--O 1.229 0.066 0 CA-C-O 121.192 0.413 . . . . 47.17 111.504 -178.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.92 9.63 21.72 Favored Glycine 0 C--N 1.334 0.456 0 N-CA-C 115.391 0.917 . . . . 43.57 115.391 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -127.64 157.98 38.77 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 121.176 -1.191 . . . . 68.19 109.678 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -75.81 152.92 37.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 118.903 -1.119 . . . . 91.92 111.165 -174.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.89 137.29 56.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.25 -1.341 . . . . 46.58 109.511 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -144.62 131.31 20.05 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.064 -0.717 . . . . 71.1 109.064 -171.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -86.63 131.26 34.2 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.441 0.463 . . . . 58.61 110.424 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.97 124.52 69.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 107.762 -1.199 . . . . 55.45 107.762 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' GLN . . . . . 0.467 ' HB3' HG22 ' A' ' 67' ' ' VAL . 35.9 tt0 -97.12 137.06 36.75 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.64 -0.424 . . . . 66.67 110.046 -177.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 4.9 t -153.91 160.41 42.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.178 -1.009 . . . . 46.67 108.854 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.01 115.92 65.09 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.728 -0.669 . . . . 44.48 109.512 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 144.73 99.33 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 CA-C-N 119.232 0.761 . . . . 47.0 111.557 -175.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.3 -164.54 38.95 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 109.021 -1.632 . . . . 44.38 109.021 158.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.2 mt -135.27 129.03 49.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 122.631 -0.335 . . . . 59.62 110.137 -172.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -88.29 118.41 27.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.492 -1.299 . . . . 46.0 107.492 162.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -102.75 112.02 24.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.767 -1.198 . . . . 75.02 107.767 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 21.8 p -110.3 171.57 7.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.434 0.635 . . . . 69.33 109.584 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.6 -14.22 62.75 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.398 -0.819 . . . . 73.71 111.536 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -103.25 0.54 31.73 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.064 0.765 . . . . 74.31 113.064 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.48 -177.16 18.49 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.104 -0.798 . . . . 61.5 111.104 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.54 141.15 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.427 -0.386 . . . . 80.34 110.742 -175.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 3.9 mt -125.39 135.82 62.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 123.973 0.909 . . . . 50.6 108.767 173.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.32 153.14 23.76 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.038 -1.077 . . . . 43.37 111.176 169.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.86 30.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.853 -0.795 . . . . 43.71 108.853 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.38 129.63 72.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.096 -0.705 . . . . 43.35 109.096 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -94.96 77.47 3.57 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 122.546 1.165 . . . . 49.5 108.174 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.21 134.57 38.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.618 -1.174 . . . . 47.86 108.642 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -112.52 117.43 32.33 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.889 -0.782 . . . . 62.97 108.889 -173.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.93 161.49 63.4 Favored Pre-proline 0 CA--C 1.51 -0.574 0 N-CA-C 108.615 -0.883 . . . . 81.06 108.615 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -58.69 158.05 25.5 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 120.369 0.712 . . . . 44.88 112.035 178.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.66 72.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.73 -1.123 . . . . 55.11 111.041 -174.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.34 4.35 1.99 Allowed Glycine 0 C--O 1.24 0.517 0 N-CA-C 115.23 0.852 . . . . 38.74 115.23 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 6.0 m -91.28 -7.38 51.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 118.83 -0.605 . . . . 40.93 112.19 174.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 51.4 m -53.21 131.22 36.73 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.052 0.453 . . . . 38.76 111.154 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.22 -5.84 45.85 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-O 119.222 -0.766 . . . . 31.0 114.119 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 41.3 m -67.56 134.49 92.75 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 118.19 0.995 . . . . 36.57 109.913 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.3 143.11 34.71 Favored 'Trans proline' 0 C--N 1.332 -0.306 0 CA-C-O 121.522 0.551 . . . . 35.83 112.554 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ILE . . . . . 0.48 HD13 HG12 ' B' ' 165' ' ' ILE . 8.0 mt -100.02 137.59 27.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 107.531 -1.285 . . . . 39.51 107.531 162.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 mp -126.27 150.71 48.26 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.715 0.293 . . . . 63.92 111.069 -173.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -88.72 179.73 6.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.011 0.91 . . . . 48.72 109.888 168.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' LYS . . . . . 0.461 ' HA ' ' CE3' ' A' ' 61' ' ' TRP . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.67 -0.695 . . . . 58.39 111.955 -172.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 143' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.9 11.01 4.27 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.148 0.425 . . . . 73.69 112.148 -179.668 -86.1 0.0 0.0 0.0 0.0 0.0 0.0 -86.1 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.71 4.37 88.97 Favored Glycine 0 C--N 1.339 0.731 0 N-CA-C 116.969 1.548 . . . . 50.71 116.969 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -85.97 140.93 29.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.631 . . . . 69.04 110.952 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 86.9 t -73.76 118.61 19.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 108.392 -0.966 . . . . 37.6 108.392 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.15 -1.05 9.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 112.375 0.509 . . . . 38.9 112.375 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 163.58 -179.77 38.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 108.726 -1.749 . . . . 35.48 108.726 171.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.8 152.85 32.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.988 -0.606 . . . . 32.08 109.869 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -98.66 151.5 20.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.233 1.013 . . . . 40.87 110.9 -175.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 121.49 0.45 11.19 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 117.496 1.758 . . . . 44.45 117.496 170.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -119.06 112.84 20.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.727 1.263 . . . . 49.5 108.445 170.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -161.69 -144.29 3.95 Favored Glycine 0 C--O 1.239 0.467 0 C-N-CA 120.315 -0.945 . . . . 46.15 115.136 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 28.5 m -133.22 167.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-O 121.745 0.784 . . . . 56.79 109.101 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.84 126.15 72.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 106.844 -1.539 . . . . 65.27 106.844 169.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' ILE . . . . . . . . . . . . . 6.0 pt -104.84 -172.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 118.576 -1.25 . . . . 75.18 110.333 -170.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . . . -44.26 -51.9 7.95 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.396 0.887 . . . . 86.71 113.396 -169.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . . . -64.6 -21.1 66.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.31 0.855 . . . . 84.41 113.31 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' GLY . . . . . . . . . . . . . . . 101.01 -3.95 55.78 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 118.817 -0.991 . . . . 77.48 115.186 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 17.5 t -89.29 170.34 10.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.01 1.405 . . . . 69.56 111.115 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -99.43 140.72 33.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 114.658 -1.155 . . . . 59.98 111.233 -167.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.83 119.19 50.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 107.174 -1.417 . . . . 48.98 107.174 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' SER . . . . . . . . . . . . . 10.5 t -99.0 135.87 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 39.5 110.468 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . -61.95 151.42 35.0 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.742 -0.783 . . . . 39.59 110.023 167.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 165' ' ' ILE . . . . . 0.48 HG12 HD13 ' B' ' 139' ' ' ILE . 64.9 mt -85.89 95.45 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 105.591 -2.003 . . . . 39.91 105.591 164.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 79.6 m -91.23 115.2 27.83 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.855 -0.528 . . . . 33.22 110.544 -170.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -125.63 148.01 49.12 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.374 0.607 . . . . 38.66 110.428 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -94.72 -176.24 38.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 122.263 0.924 . . . . 50.08 111.747 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' LYS . . . . . 0.822 ' O ' ' O ' ' B' ' 301' ' ' HOH . . . -111.7 125.32 53.85 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.811 -0.811 . . . . 71.83 108.811 178.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 170' ' ' ARG . . . . . 0.492 ' HB2' ' HB3' ' B' ' 86' ' ' ASP . 17.1 ttt85 -80.96 146.74 30.57 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.337 0.589 . . . . 76.01 111.0 179.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 171' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.462 0 CA-C-N 115.567 -0.742 . . . . 97.58 111.2 -175.501 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' D9U . . . . . 0.599 ' N31' ' OD1' ' A' ' 83' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . 0.822 ' O ' ' O ' ' B' ' 169' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . 0.796 ' O ' ' O ' ' B' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 329' ' ' HOH . . . . . 0.806 ' O ' ' SG ' ' B' ' 80' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.725 0.774 . . . . 90.48 112.691 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.2 mtt -89.19 148.07 23.83 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.115 -0.948 . . . . 71.81 109.878 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -138.82 160.37 39.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.869 -1.16 . . . . 62.4 107.869 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' B' ' 24' ' ' ARG . 19.4 pt -118.19 149.3 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 108.756 -0.831 . . . . 45.64 108.756 -176.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -141.65 137.44 31.81 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.419 -0.586 . . . . 68.32 109.419 176.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -69.11 138.46 54.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.453 -0.794 . . . . 63.44 110.709 -171.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.11 -3.47 8.05 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 114.328 1.233 . . . . 43.7 114.328 -176.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.23 179.17 31.95 Favored Glycine 0 C--O 1.241 0.546 0 C-N-CA 120.0 -1.095 . . . . 46.11 113.2 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -84.13 167.11 17.06 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 113.693 -1.253 . . . . 70.35 109.587 172.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.9 mm -104.55 98.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 105.94 -1.874 . . . . 64.28 105.94 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.8 p -146.64 144.14 29.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.906 0.384 . . . . 66.36 110.579 -170.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' B' ' 142' ' ' LYS . 60.1 t-105 -72.31 134.83 45.73 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.716 -0.675 . . . . 61.08 109.671 171.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.38 112.93 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.746 -0.835 . . . . 98.17 108.746 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HE2' ' H ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -58.64 -38.87 79.04 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 123.277 0.36 . . . . 80.25 111.13 177.246 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . . . -95.49 39.11 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.457 0.703 . . . . 83.47 111.736 -175.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.81 143.93 30.49 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.65 -0.656 . . . . 66.14 110.267 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.75 146.3 51.58 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.76 -0.655 . . . . 93.16 110.023 167.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' B' ' 110' ' ' GLN . 18.1 t -117.68 124.4 73.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 108.306 -0.998 . . . . 76.48 108.306 -175.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -152.65 -175.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.7 -0.852 . . . . 75.45 108.7 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.23 140.95 2.08 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.797 -0.638 . . . . 69.07 113.61 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -94.34 -168.97 1.95 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.62 -0.882 . . . . 101.88 108.62 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -136.0 73.69 58.5 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 109.17 -0.678 . . . . 62.6 109.17 -172.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.66 147.84 32.04 Favored 'Trans proline' 0 C--N 1.329 -0.496 0 CA-C-O 122.221 0.842 . . . . 64.55 113.102 -177.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -106.54 112.56 25.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.165 -0.925 . . . . 101.13 108.986 171.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.6 141.92 47.81 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.434 1.094 . . . . 74.26 110.684 -175.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.93 113.73 25.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.208 -1.034 . . . . 91.1 108.208 172.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -127.07 158.5 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.815 0.817 . . . . 59.2 109.781 -170.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.07 141.79 48.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.299 -0.864 . . . . 55.46 109.432 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.8 tp -109.54 118.02 35.49 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.471 -0.937 . . . . 55.75 108.471 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -87.52 176.94 7.24 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.664 0.745 . . . . 65.1 110.595 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.71 -22.61 65.25 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.228 -0.589 . . . . 89.81 112.313 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -84.39 5.22 27.97 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 113.895 1.072 . . . . 67.65 113.895 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.88 15.8 71.84 Favored Glycine 0 C--N 1.335 0.507 0 N-CA-C 115.198 0.839 . . . . 50.06 115.198 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.599 ' OD1' ' N31' ' B' ' 201' ' ' D9U . 80.2 m-20 -105.9 134.69 48.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.086 0.943 . . . . 63.95 109.375 -176.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.92 142.07 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.197 0.522 . . . . 50.55 110.13 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.7 p -133.1 145.62 50.89 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.173 -0.677 . . . . 74.29 109.173 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tp -78.51 145.57 34.86 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.455 0.645 . . . . 74.34 110.446 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.681 -0.69 . . . . 82.96 109.575 175.916 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' OH ' ' B' ' 23' ' ' TYR . 32.9 tt0 . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.472 0.545 . . . . 81.98 112.472 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . 0.796 ' O ' ' O ' ' B' ' 302' ' ' HOH . 3.1 p -119.77 14.81 12.61 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 122.67 0.388 . . . . 70.38 111.986 172.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.5 m -59.02 134.04 56.64 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.8 0.333 . . . . 59.54 110.399 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -49.46 143.49 6.64 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 116.115 -0.493 . . . . 57.95 110.322 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.47 -169.8 31.03 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.952 -1.259 . . . . 43.82 109.952 174.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.34 141.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 49.05 108.04 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' B' ' 17' ' ' GLU . 24.2 m-85 -132.28 146.64 52.14 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.943 0.401 . . . . 52.85 110.105 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 84.8 mtt-85 -83.66 143.76 29.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.149 -0.686 . . . . 53.38 109.149 169.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.9 117.04 50.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 107.236 -1.394 . . . . 41.41 107.236 170.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 54.5 mmm -116.2 150.39 37.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.514 0.726 . . . . 44.72 109.667 -172.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.1 t -131.71 158.36 41.36 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.52 0.676 . . . . 54.15 109.646 172.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -122.21 13.72 10.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.351 -0.841 . . . . 95.11 112.418 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . . . -67.35 -18.24 65.07 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.186 -0.606 . . . . 73.55 111.985 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -112.08 -167.03 1.13 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.718 0.771 . . . . 68.26 110.221 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -64.66 134.3 53.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.563 -0.744 . . . . 60.65 110.376 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.84 -147.79 28.8 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-O 122.087 0.826 . . . . 55.45 112.246 -177.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -107.6 123.65 48.78 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.025 -1.102 . . . . 58.53 108.025 170.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 99.1 m -113.33 133.36 55.17 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.24 1.016 . . . . 56.37 109.626 -173.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' B' ' 102' ' ' PRO . 48.8 tt0 -86.41 116.32 24.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.691 -1.225 . . . . 41.9 107.691 173.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.85 -14.41 7.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-O 119.083 -0.484 . . . . 45.06 112.121 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.27 -165.2 34.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.12 -1.038 . . . . 32.54 112.139 -179.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -140.06 155.02 23.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 124.78 1.232 . . . . 37.49 108.464 -172.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.22 172.24 30.07 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 119.62 -1.276 . . . . 34.97 112.844 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 62.3 t -121.02 126.21 74.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.789 -1.189 . . . . 41.15 107.789 -176.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 45.9 tpp -95.95 125.23 40.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.897 -1.149 . . . . 57.74 107.897 171.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.449 ' HG2' ' HG3' ' B' ' 43' ' ' GLU . 39.8 tt0 -151.91 132.51 13.92 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.763 -0.829 . . . . 57.51 108.763 174.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' B' ' 42' ' ' GLN . 25.0 mt-10 51.9 42.62 30.29 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.809 0.693 . . . . 67.92 111.621 -178.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.06 18.32 74.55 Favored Glycine 0 C--N 1.334 0.471 0 N-CA-C 116.229 1.252 . . . . 45.86 116.229 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.91 135.31 64.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.725 1.262 . . . . 36.46 108.14 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -97.06 127.27 42.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.021 -0.733 . . . . 41.22 109.021 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -116.3 129.52 56.31 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 108.714 -0.847 . . . . 34.11 108.714 -175.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 14.0 t -149.97 -173.83 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 118.96 -1.096 . . . . 34.57 109.201 171.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.9 mtp -90.76 147.01 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.555 0.693 . . . . 50.88 110.744 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -56.87 -43.59 81.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.012 -0.995 . . . . 57.34 111.285 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -70.39 -9.23 55.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 118.339 -1.344 . . . . 41.93 112.21 -172.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 49.9 t -75.05 -50.27 25.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 119.923 -0.711 . . . . 40.05 110.445 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -107.3 -17.78 14.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.15 0.796 . . . . 43.89 113.15 -173.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 53.08 34.96 18.38 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.159 0.984 . . . . 60.04 111.71 -172.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.6 8.31 87.72 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-O 119.065 -0.853 . . . . 50.62 115.159 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.13 150.44 40.48 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 118.277 1.039 . . . . 50.66 112.357 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.59 151.72 5.7 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.481 -1.236 . . . . 55.8 110.838 170.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -129.8 154.4 47.28 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.452 -0.795 . . . . 53.21 109.067 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -111.72 136.27 51.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.197 -0.911 . . . . 73.94 109.2 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -124.89 94.64 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.673 -1.603 . . . . 70.84 106.673 172.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.74 -110.66 3.14 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.363 -0.695 . . . . 84.89 111.363 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . . . -92.75 -15.58 26.47 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.921 0.712 . . . . 82.85 112.921 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.56 172.5 32.98 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-O 122.026 0.792 . . . . 80.54 113.074 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -129.63 127.05 39.81 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.828 -0.686 . . . . 78.09 110.216 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.7 117.58 34.97 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.799 -0.815 . . . . 60.92 108.799 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.56 159.86 29.3 Favored Pre-proline 0 C--O 1.253 1.281 0 C-N-CA 113.162 -3.415 . . . . 78.47 111.846 175.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.31 144.73 69.3 Favored 'Trans proline' 0 C--O 1.234 0.321 0 CA-C-O 121.943 0.726 . . . . 52.01 112.065 -173.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -117.53 -41.6 2.94 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.079 -0.964 . . . . 39.68 111.671 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -146.83 141.06 26.25 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.96 -0.756 . . . . 45.13 108.96 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.05 155.54 26.46 Favored Glycine 0 C--N 1.335 0.487 0 N-CA-C 111.875 -0.49 . . . . 41.05 111.875 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.33 113.3 3.92 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 108.143 -1.058 . . . . 63.05 108.143 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.61 -34.36 64.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.421 -0.512 . . . . 41.92 111.221 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.82 -40.94 79.21 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.192 -1.403 . . . . 57.44 110.483 -173.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -73.9 -21.25 60.14 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 119.024 -0.512 . . . . 70.9 112.201 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 29.9 t0 61.36 45.5 8.56 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.268 0.627 . . . . 43.86 111.691 -176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.4 mt -134.05 155.65 49.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.162 0.506 . . . . 34.69 110.01 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 p -152.48 146.04 15.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.236 -1.024 . . . . 42.28 108.236 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 51.8 p -125.19 144.7 50.32 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.032 -0.729 . . . . 35.78 109.032 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -119.08 141.52 48.69 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 124.364 1.066 . . . . 43.24 108.902 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.806 ' SG ' ' O ' ' B' ' 329' ' ' HOH . 22.8 m 69.47 3.69 4.3 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.469 2.308 . . . . 47.71 113.276 177.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.96 179.02 39.25 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 119.216 0.916 . . . . 37.44 113.286 -177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.09 155.07 37.89 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 120.472 0.781 . . . . 40.4 112.6 -177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -45.76 123.93 4.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 113.968 -1.469 . . . . 39.99 111.294 176.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -106.04 -13.84 15.35 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.27 1.211 . . . . 55.49 114.27 -175.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -90.18 118.29 29.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 118.79 0.723 . . . . 46.38 109.577 -172.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' B' ' 170' ' ' ARG . 33.6 p-10 -128.8 1.63 5.41 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 114.629 1.344 . . . . 68.66 114.629 -175.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.71 159.34 33.69 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 119.166 0.894 . . . . 41.91 110.052 174.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.56 151.92 38.89 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 121.871 0.844 . . . . 49.58 110.044 -176.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.476 ' C ' ' H ' ' B' ' 91' ' ' GLY . 13.5 t90 -50.47 123.02 7.89 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 114.504 -1.225 . . . . 50.58 108.726 175.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -65.28 0.53 1.38 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.084 -0.646 . . . . 68.87 110.161 -175.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' B' ' 89' ' ' TRP . . . 89.37 -54.15 3.86 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.714 -0.676 . . . . 72.28 112.438 -166.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.13 -35.99 9.83 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.422 -1.311 . . . . 78.25 113.73 -161.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -74.03 155.13 38.87 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 120.316 -1.49 . . . . 71.6 112.744 -168.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -66.82 157.96 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 117.941 -1.504 . . . . 72.87 109.906 163.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 5.7 m -125.07 -179.36 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.248 -0.649 . . . . 46.3 109.248 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -134.36 129.33 35.26 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.029 -0.532 . . . . 49.85 109.997 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 51.5 tp -86.27 119.27 26.37 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.074 -1.084 . . . . 38.73 108.074 166.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 20.7 tp -89.09 82.83 6.56 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 106.378 -1.712 . . . . 46.92 106.378 171.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.62 132.12 40.41 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 114.09 -1.413 . . . . 38.64 109.979 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -120.27 80.46 28.61 Favored Pre-proline 0 C--O 1.245 0.818 0 N-CA-C 108.203 -1.036 . . . . 43.18 108.203 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.33 153.96 56.1 Favored 'Trans proline' 0 CA--C 1.51 -0.683 0 N-CA-C 109.951 -0.827 . . . . 39.23 109.951 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.435 ' HB3' ' HB3' ' B' ' 35' ' ' GLN . 2.8 Cg_endo -58.77 136.05 71.2 Favored 'Trans proline' 0 C--O 1.229 0.066 0 CA-C-O 121.192 0.413 . . . . 47.17 111.504 -178.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.92 9.63 21.72 Favored Glycine 0 C--N 1.334 0.456 0 N-CA-C 115.391 0.917 . . . . 43.57 115.391 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -127.64 157.98 38.77 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 121.176 -1.191 . . . . 68.19 109.678 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -75.81 152.92 37.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 118.903 -1.119 . . . . 91.92 111.165 -174.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.89 137.29 56.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.25 -1.341 . . . . 46.58 109.511 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -144.62 131.31 20.05 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.064 -0.717 . . . . 71.1 109.064 -171.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -86.63 131.26 34.2 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.441 0.463 . . . . 58.61 110.424 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.97 124.52 69.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 107.762 -1.199 . . . . 55.45 107.762 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.467 ' HB3' HG22 ' A' ' 67' ' ' VAL . 35.9 tt0 -97.12 137.06 36.75 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.64 -0.424 . . . . 66.67 110.046 -177.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 4.9 t -153.91 160.41 42.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 119.178 -1.009 . . . . 46.67 108.854 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.01 115.92 65.09 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.728 -0.669 . . . . 44.48 109.512 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 144.73 99.33 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 CA-C-N 119.232 0.761 . . . . 47.0 111.557 -175.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.3 -164.54 38.95 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 109.021 -1.632 . . . . 44.38 109.021 158.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 81.2 mt -135.27 129.03 49.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 122.631 -0.335 . . . . 59.62 110.137 -172.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -88.29 118.41 27.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.492 -1.299 . . . . 46.0 107.492 162.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -102.75 112.02 24.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.767 -1.198 . . . . 75.02 107.767 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 21.8 p -110.3 171.57 7.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.434 0.635 . . . . 69.33 109.584 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.6 -14.22 62.75 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.398 -0.819 . . . . 73.71 111.536 174.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -103.25 0.54 31.73 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.064 0.765 . . . . 74.31 113.064 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.48 -177.16 18.49 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 111.104 -0.798 . . . . 61.5 111.104 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.54 141.15 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.427 -0.386 . . . . 80.34 110.742 -175.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 3.9 mt -125.39 135.82 62.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 123.973 0.909 . . . . 50.6 108.767 173.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.32 153.14 23.76 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.038 -1.077 . . . . 43.37 111.176 169.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -146.77 145.86 30.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.853 -0.795 . . . . 43.71 108.853 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.38 129.63 72.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.096 -0.705 . . . . 43.35 109.096 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -94.96 77.47 3.57 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 122.546 1.165 . . . . 49.5 108.174 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -136.21 134.57 38.28 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.618 -1.174 . . . . 47.86 108.642 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -112.52 117.43 32.33 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.889 -0.782 . . . . 62.97 108.889 -173.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.93 161.49 63.4 Favored Pre-proline 0 CA--C 1.51 -0.574 0 N-CA-C 108.615 -0.883 . . . . 81.06 108.615 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -58.69 158.05 25.5 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 120.369 0.712 . . . . 44.88 112.035 178.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.16 -39.66 72.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.73 -1.123 . . . . 55.11 111.041 -174.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.34 4.35 1.99 Allowed Glycine 0 C--O 1.24 0.517 0 N-CA-C 115.23 0.852 . . . . 38.74 115.23 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 6.0 m -91.28 -7.38 51.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 118.83 -0.605 . . . . 40.93 112.19 174.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 51.4 m -53.21 131.22 36.73 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.052 0.453 . . . . 38.76 111.154 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.22 -5.84 45.85 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-O 119.222 -0.766 . . . . 31.0 114.119 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 41.3 m -67.56 134.49 92.75 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 118.19 0.995 . . . . 36.57 109.913 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.3 143.11 34.71 Favored 'Trans proline' 0 C--N 1.332 -0.306 0 CA-C-O 121.522 0.551 . . . . 35.83 112.554 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ILE . . . . . 0.48 HD13 HG12 ' B' ' 165' ' ' ILE . 8.0 mt -100.02 137.59 27.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 107.531 -1.285 . . . . 39.51 107.531 162.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 mp -126.27 150.71 48.26 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.715 0.293 . . . . 63.92 111.069 -173.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -88.72 179.73 6.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 122.011 0.91 . . . . 48.72 109.888 168.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' LYS . . . . . 0.461 ' HA ' ' CE3' ' A' ' 61' ' ' TRP . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.67 -0.695 . . . . 58.39 111.955 -172.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.9 11.01 4.27 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.148 0.425 . . . . 73.69 112.148 -179.668 -86.1 0.0 0.0 0.0 0.0 0.0 0.0 -86.1 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.71 4.37 88.97 Favored Glycine 0 C--N 1.339 0.731 0 N-CA-C 116.969 1.548 . . . . 50.71 116.969 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -85.97 140.93 29.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.462 1.631 . . . . 69.04 110.952 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 86.9 t -73.76 118.61 19.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 108.392 -0.966 . . . . 37.6 108.392 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.15 -1.05 9.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 112.375 0.509 . . . . 38.9 112.375 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 163.58 -179.77 38.43 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 108.726 -1.749 . . . . 35.48 108.726 171.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.8 152.85 32.52 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.988 -0.606 . . . . 32.08 109.869 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -98.66 151.5 20.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.233 1.013 . . . . 40.87 110.9 -175.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 121.49 0.45 11.19 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 117.496 1.758 . . . . 44.45 117.496 170.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -119.06 112.84 20.06 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.727 1.263 . . . . 49.5 108.445 170.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -161.69 -144.29 3.95 Favored Glycine 0 C--O 1.239 0.467 0 C-N-CA 120.315 -0.945 . . . . 46.15 115.136 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 28.5 m -133.22 167.15 27.27 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-O 121.745 0.784 . . . . 56.79 109.101 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.84 126.15 72.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 106.844 -1.539 . . . . 65.27 106.844 169.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' ILE . . . . . . . . . . . . . 6.0 pt -104.84 -172.83 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 118.576 -1.25 . . . . 75.18 110.333 -170.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . . . -44.26 -51.9 7.95 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 113.396 0.887 . . . . 86.71 113.396 -169.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' ASN . . . . . . . . . . . . . . . -64.6 -21.1 66.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.31 0.855 . . . . 84.41 113.31 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' GLY . . . . . . . . . . . . . . . 101.01 -3.95 55.78 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 118.817 -0.991 . . . . 77.48 115.186 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 17.5 t -89.29 170.34 10.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.01 1.405 . . . . 69.56 111.115 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -99.43 140.72 33.19 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 114.658 -1.155 . . . . 59.98 111.233 -167.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.83 119.19 50.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 107.174 -1.417 . . . . 48.98 107.174 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' SER . . . . . . . . . . . . . 10.5 t -99.0 135.87 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 39.5 110.468 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' ALA . . . . . . . . . . . . . . . -61.95 151.42 35.0 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.742 -0.783 . . . . 39.59 110.023 167.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' ILE . . . . . 0.48 HG12 HD13 ' B' ' 139' ' ' ILE . 64.9 mt -85.89 95.45 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 105.591 -2.003 . . . . 39.91 105.591 164.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' THR . . . . . . . . . . . . . 79.6 m -91.23 115.2 27.83 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.855 -0.528 . . . . 33.22 110.544 -170.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -125.63 148.01 49.12 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.374 0.607 . . . . 38.66 110.428 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -94.72 -176.24 38.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 122.263 0.924 . . . . 50.08 111.747 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.822 ' O ' ' O ' ' B' ' 301' ' ' HOH . . . -111.7 125.32 53.85 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.811 -0.811 . . . . 71.83 108.811 178.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.492 ' HB2' ' HB3' ' B' ' 86' ' ' ASP . 17.1 ttt85 -80.96 146.74 30.57 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.337 0.589 . . . . 76.01 111.0 179.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.462 0 CA-C-N 115.567 -0.742 . . . . 97.58 111.2 -175.501 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' D9U . . . . . 0.599 ' N31' ' OD1' ' A' ' 83' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . 0.822 ' O ' ' O ' ' B' ' 169' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . 0.796 ' O ' ' O ' ' B' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 329' ' ' HOH . . . . . 0.806 ' O ' ' SG ' ' B' ' 80' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_