data_5zua_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 5zua _Structure_validation_residue.Date_analyzed 2019-05-31 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.2 m80 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.653 0.242 . . . . 62.62 111.653 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.37 136.21 95.62 Favored Pre-proline 0 C--O 1.236 0.349 0 C-N-CA 120.326 -0.55 . . . . 76.44 109.765 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -47.66 -48.95 14.44 Favored 'Trans proline' 0 C--O 1.241 0.672 0 N-CA-C 116.163 1.563 . . . . 49.57 116.163 -154.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.56 -12.28 57.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 113.232 0.827 . . . . 42.59 113.232 -171.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -70.27 -20.13 63.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.699 1.136 . . . . 43.9 112.22 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -67.63 -4.03 10.72 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.606 0.639 . . . . 40.57 112.672 171.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -140.43 151.89 45.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.523 0.678 . . . . 36.7 109.531 -172.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.18 130.33 36.19 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.308 -0.86 . . . . 39.05 109.105 166.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -149.85 160.14 43.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.271 -0.641 . . . . 33.83 109.271 -174.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.06 119.64 11.07 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.644 -0.707 . . . . 32.49 109.165 173.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.31 127.37 26.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.923 -0.769 . . . . 32.12 108.923 174.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mm -95.67 -50.39 11.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.183 0.516 . . . . 32.64 110.969 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p -130.7 177.37 7.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.353 -0.98 . . . . 34.07 108.353 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 10.8 pm0 -63.08 -6.61 4.25 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.67 -0.812 . . . . 39.07 111.988 169.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -106.66 -45.65 4.17 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 113.774 1.027 . . . . 31.33 113.774 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -112.84 128.33 69.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 122.861 0.465 . . . . 32.15 110.071 -166.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.4 m -120.97 146.57 46.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.167 -1.049 . . . . 27.36 108.167 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.6 mt -109.47 116.82 53.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 107.909 -1.145 . . . . 33.4 107.909 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.28 137.72 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 108.36 -0.978 . . . . 27.35 108.36 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -99.38 119.55 38.15 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.583 -0.895 . . . . 29.68 108.583 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.71 -164.41 33.6 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 121.983 0.768 . . . . 33.94 111.388 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.81 121.21 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.702 -1.249 . . . . 35.4 107.817 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.21 72.75 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.325 0.491 . . . . 29.01 112.325 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.01 -48.04 76.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.848 -0.427 . . . . 29.23 109.848 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.03 -43.31 95.94 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.07 0.396 . . . . 55.31 112.07 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.07 -47.16 94.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.553 0.692 . . . . 32.12 110.106 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.73 68.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.711 -0.796 . . . . 34.14 111.727 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -69.22 -23.38 63.89 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.282 -0.967 . . . . 48.35 112.022 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.9 m -78.57 -15.99 57.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.085 0.772 . . . . 33.9 113.085 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -124.41 100.53 6.72 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.013 -0.736 . . . . 40.95 109.013 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.0 -19.13 79.48 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.09 -1.052 . . . . 34.94 114.206 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -89.05 4.44 48.33 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.741 0.771 . . . . 41.04 111.906 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.6 p -87.05 158.21 19.27 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.959 0.885 . . . . 32.27 110.796 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -105.68 130.39 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.541 -1.281 . . . . 25.74 107.541 169.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -93.87 124.76 38.09 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.66 -0.496 . . . . 30.75 109.66 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 t -82.9 122.29 37.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.925 -0.768 . . . . 26.99 108.925 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -91.5 135.54 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.791 -1.188 . . . . 33.88 107.791 168.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.76 97.58 10.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.355 -1.721 . . . . 26.36 106.355 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.94 173.3 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.289 1.042 . . . . 27.92 111.302 -164.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -108.86 -177.56 3.34 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.213 -0.903 . . . . 28.68 109.964 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 m -59.82 -34.09 72.61 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.724 -1.125 . . . . 29.5 111.955 -173.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.76 9.27 37.13 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 112.079 0.4 . . . . 29.73 112.079 -174.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 mt 52.05 35.6 16.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.593 0.711 . . . . 34.22 111.084 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.91 105.71 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.607 -1.257 . . . . 50.58 107.607 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -95.95 62.67 2.25 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 122.118 0.961 . . . . 33.42 110.799 -171.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.03 -25.67 51.48 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.379 -1.282 . . . . 36.38 115.834 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.77 -175.03 32.36 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 118.167 0.984 . . . . 31.53 113.058 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.44 -152.39 50.71 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 118.307 -1.901 . . . . 37.18 109.949 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 tt -71.72 -21.62 21.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 117.77 -1.572 . . . . 31.96 110.988 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.69 93.75 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 118.882 -1.127 . . . . 32.9 110.557 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.22 83.26 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 119.954 -1.117 . . . . 33.86 112.723 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.17 89.41 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 117.025 0.412 . . . . 34.81 110.791 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.82 -48.57 63.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.34 -0.544 . . . . 29.86 110.255 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.2 -39.21 69.37 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 119.843 -0.743 . . . . 27.33 111.201 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -39.46 66.07 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.114 -0.634 . . . . 27.72 111.031 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.12 -36.78 75.78 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.702 -0.399 . . . . 29.66 111.447 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 p -87.99 8.0 28.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.942 0.719 . . . . 24.95 112.942 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 62.11 41.14 11.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.335 0.588 . . . . 38.0 112.285 170.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.85 -13.82 60.09 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-O 119.247 -0.751 . . . . 31.96 114.748 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.23 -41.34 97.04 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 117.965 0.882 . . . . 28.33 111.868 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.61 -38.82 77.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.272 -0.571 . . . . 28.76 110.456 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -62.87 -44.14 96.91 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.739 -0.784 . . . . 29.45 111.454 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -69.24 -43.47 73.95 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.03 -0.668 . . . . 50.0 111.588 -174.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.41 -45.8 84.18 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.511 0.672 . . . . 28.99 110.242 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -39.92 96.04 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.119 -0.491 . . . . 40.84 111.868 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.71 -39.69 92.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.319 -0.552 . . . . 36.35 111.132 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.17 -41.81 94.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 119.363 -0.935 . . . . 55.23 110.411 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -64.84 -47.06 79.3 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.036 -0.415 . . . . 31.95 111.159 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.18 -36.16 71.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 O-C-N 121.927 -0.483 . . . . 29.08 110.688 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.04 -38.59 89.31 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.722 -1.191 . . . . 33.53 110.375 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.08 21.35 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.723 0.268 . . . . 33.04 111.723 -174.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -99.08 -17.78 18.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.05 1.13 . . . . 42.81 114.05 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.3 173.81 50.01 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.75 -1.34 . . . . 33.4 109.75 -170.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.44 157.51 45.07 Favored 'Trans proline' 0 C--N 1.33 -0.424 0 CA-C-O 122.711 1.046 . . . . 32.68 113.633 -170.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.8 mt -85.96 147.84 26.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.236 -1.347 . . . . 31.03 111.007 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.97 171.09 15.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.866 0.841 . . . . 39.8 110.065 171.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.5 t -78.43 139.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.443 -0.947 . . . . 30.42 108.443 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.54 -8.79 60.81 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-O 119.14 -0.811 . . . . 32.14 114.023 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.98 154.37 42.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.0 0.905 . . . . 44.94 110.675 170.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.0 p -137.44 152.86 50.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.823 -1.08 . . . . 27.78 108.3 172.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -139.07 129.1 31.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.168 -0.679 . . . . 29.19 109.168 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 tp -81.7 123.34 28.65 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.46 -0.57 . . . . 29.9 109.46 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . 0.522 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 43.6 mt -125.33 -171.57 2.4 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.433 -0.507 . . . . 30.45 110.878 177.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 304' ' ' HOH . 32.2 mt-30 -65.25 162.87 16.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 122.329 1.061 . . . . 32.52 111.421 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.63 -20.03 25.64 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.218 -0.901 . . . . 26.85 111.679 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 53.77 38.68 29.04 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.907 0.861 . . . . 36.85 110.312 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.8 p 55.88 16.13 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.871 1.668 . . . . 31.49 113.882 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.96 -20.37 25.98 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 119.304 0.956 . . . . 31.8 111.816 165.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.12 13.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.277 -1.379 . . . . 26.78 107.277 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -51.88 -38.14 54.96 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.682 -0.69 . . . . 39.02 110.112 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 81' ' ' LEU . 4.5 m120 -160.38 160.32 32.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.283 -1.006 . . . . 30.35 108.283 -176.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.2 mt -117.8 123.59 71.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.305 -1.368 . . . . 29.77 107.305 172.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.07 109.34 22.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.593 -1.262 . . . . 28.1 107.593 176.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -85.11 118.75 24.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.714 -1.217 . . . . 29.27 107.714 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.11 131.52 72.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 107.036 -1.468 . . . . 29.68 107.036 -170.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.5 t -109.7 91.82 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.67 -0.863 . . . . 32.31 108.67 -174.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.67 161.09 53.95 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 121.63 0.572 . . . . 31.75 111.798 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.25 149.75 57.96 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 CA-C-O 122.18 0.825 . . . . 32.39 111.953 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -103.78 106.86 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.669 -1.234 . . . . 36.67 107.669 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.42 79.98 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.008 -0.677 . . . . 35.51 111.15 -174.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -49.62 -44.21 47.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.366 -0.534 . . . . 44.71 110.967 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.37 11.23 3.07 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.718 0.636 . . . . 38.27 112.718 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttm 56.79 44.49 23.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.248 0.547 . . . . 45.89 111.796 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -89.72 153.86 20.38 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.545 0.688 . . . . 39.47 110.836 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.51 111.54 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.827 . . . . 41.29 109.66 -173.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.4 -23.34 22.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 123.371 0.669 . . . . 37.13 111.438 -175.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.0 p -67.27 -10.69 53.23 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.21 -0.596 . . . . 36.54 112.342 173.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.9 -16.12 62.84 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.825 -0.75 . . . . 33.34 111.548 170.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.82 -31.91 63.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.743 -0.383 . . . . 33.52 111.411 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -61.86 -40.03 93.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.851 0.358 . . . . 37.14 110.519 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -66.01 -43.22 88.32 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.902 -0.319 . . . . 39.11 110.764 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.5 m -56.59 -49.86 73.65 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 111.924 0.342 . . . . 35.46 111.924 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -73.9 -30.7 62.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.861 -0.736 . . . . 26.24 112.028 -174.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -53.74 -38.99 64.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.647 0.26 . . . . 50.95 110.732 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.0 -28.31 67.6 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.054 0.39 . . . . 25.32 112.054 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.8 mtm -68.55 -17.61 64.18 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 112.138 0.421 . . . . 34.24 112.138 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -75.39 -10.03 59.09 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.639 -1.224 . . . . 33.1 113.529 -172.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.22 -5.53 44.97 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.804 0.668 . . . . 32.6 112.804 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.53 144.13 37.77 Favored Pre-proline 0 C--O 1.24 0.573 0 C-N-CA 118.936 -1.106 . . . . 33.14 111.143 -175.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.31 -29.07 21.81 Favored 'Trans proline' 0 C--O 1.238 0.515 0 N-CA-C 113.487 0.533 . . . . 34.62 113.487 -173.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 tp -141.62 127.3 19.1 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.084 -0.71 . . . . 31.69 109.084 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.36 134.79 58.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.764 -0.828 . . . . 27.6 108.764 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.96 118.92 59.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.221 -1.77 . . . . 23.76 106.221 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -135.97 145.06 51.02 Favored Pre-proline 0 C--O 1.243 0.719 0 N-CA-C 112.437 0.532 . . . . 27.0 112.437 -170.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.47 -178.45 4.6 Favored 'Trans proline' 0 C--N 1.32 -0.973 0 N-CA-C 107.982 -1.584 . . . . 27.7 107.982 163.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.9 mt -83.84 109.62 17.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.452 -1.314 . . . . 27.35 107.452 172.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.49 137.72 24.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-O 121.289 0.566 . . . . 27.87 110.046 -176.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.1 m 68.42 7.16 5.81 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 126.175 1.79 . . . . 37.24 113.428 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -90.26 2.1 55.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.845 1.054 . . . . 41.39 113.845 -167.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -111.12 -101.65 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 118.745 -1.693 . . . . 42.23 114.468 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.44 -27.88 38.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 119.088 -1.045 . . . . 43.54 111.314 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -69.81 -6.33 31.58 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.373 0.879 . . . . 36.13 113.373 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.19 78.58 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 117.481 1.752 . . . . 34.63 117.481 160.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.46 132.15 33.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 119.067 1.434 . . . . 33.76 108.414 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -62.03 139.99 95.88 Favored Pre-proline 0 C--O 1.241 0.62 0 C-N-CA 120.517 -0.473 . . . . 43.5 109.943 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.62 -42.55 64.02 Favored 'Trans proline' 0 CA--C 1.511 -0.647 0 CA-C-N 118.531 0.511 . . . . 30.89 112.165 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.53 64.58 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.124 -0.489 . . . . 28.36 111.505 173.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.54 67.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 119.244 -0.982 . . . . 29.25 110.162 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.6 t -59.79 -45.64 91.68 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 119.852 -0.739 . . . . 27.12 111.067 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.8 -36.2 69.63 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.074 -0.65 . . . . 32.6 111.543 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.92 -43.15 99.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.123 -0.361 . . . . 34.01 111.324 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -65.1 -36.76 85.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.475 -0.49 . . . . 28.65 110.793 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.37 -50.43 59.77 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 118.544 -1.263 . . . . 32.99 111.192 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.3 tp -64.63 -23.62 33.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 119.184 -1.006 . . . . 32.73 111.145 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -71.77 -34.45 69.45 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 119.162 -0.447 . . . . 39.78 112.15 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -99.75 -21.36 15.82 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 114.535 1.309 . . . . 36.99 114.535 -174.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.66 112.73 4.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.727 0.694 . . . . 28.83 109.563 -170.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -109.79 -3.01 16.97 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 122.891 0.476 . . . . 36.53 111.874 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 t -119.24 179.74 4.09 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.961 0.904 . . . . 32.64 109.453 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -78.54 115.59 18.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.564 -0.289 . . . . 45.29 110.379 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.06 122.7 62.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 108.586 -0.894 . . . . 28.58 108.586 -171.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 70.8 mt -101.48 107.02 18.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.811 -1.551 . . . . 27.12 106.811 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.0 121.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 106.267 -1.753 . . . . 27.39 106.267 -178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.5 t -115.62 121.29 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.592 -0.892 . . . . 28.93 108.592 -167.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.17 132.16 68.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.922 -1.51 . . . . 29.71 106.922 -176.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 37.6 p-10 -106.41 -1.87 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.971 0.73 . . . . 41.44 112.971 -171.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.2 t -92.65 136.12 33.5 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.103 -1.073 . . . . 34.67 108.103 165.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.61 -34.75 67.57 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.305 -0.958 . . . . 54.27 110.654 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.74 -47.65 83.88 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.617 -0.433 . . . . 48.19 111.121 176.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.43 -39.99 76.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.706 -0.798 . . . . 34.18 110.266 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -63.82 -43.99 94.58 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 121.885 -0.509 . . . . 33.05 111.095 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -63.54 -40.89 98.19 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.379 -0.529 . . . . 48.33 111.218 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.8 t -63.6 -44.82 92.85 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.99 0.424 . . . . 39.44 111.422 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.95 -31.26 72.08 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.23 -0.588 . . . . 35.39 111.859 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.4 p -105.68 31.17 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.874 -0.517 . . . . 38.03 111.655 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mm . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 126.001 1.72 . . . . 49.88 113.234 169.155 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ATP . . . . . 0.825 ' O2A' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.825 ' O ' ' O2A' ' A' ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . 0.606 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.2 m80 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.653 0.242 . . . . 62.62 111.653 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.37 136.21 95.62 Favored Pre-proline 0 C--O 1.236 0.349 0 C-N-CA 120.326 -0.55 . . . . 76.44 109.765 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -47.66 -48.95 14.44 Favored 'Trans proline' 0 C--O 1.241 0.672 0 N-CA-C 116.163 1.563 . . . . 49.57 116.163 -154.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.56 -12.28 57.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 113.232 0.827 . . . . 42.59 113.232 -171.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -70.27 -20.13 63.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.699 1.136 . . . . 43.9 112.22 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -67.63 -4.03 10.72 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.606 0.639 . . . . 40.57 112.672 171.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -140.43 151.89 45.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.523 0.678 . . . . 36.7 109.531 -172.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.18 130.33 36.19 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.308 -0.86 . . . . 39.05 109.105 166.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -149.85 160.14 43.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.271 -0.641 . . . . 33.83 109.271 -174.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.06 119.64 11.07 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.644 -0.707 . . . . 32.49 109.165 173.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.31 127.37 26.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.923 -0.769 . . . . 32.12 108.923 174.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mm -95.67 -50.39 11.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.183 0.516 . . . . 32.64 110.969 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p -130.7 177.37 7.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.353 -0.98 . . . . 34.07 108.353 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 10.8 pm0 -63.08 -6.61 4.25 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.67 -0.812 . . . . 39.07 111.988 169.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -106.66 -45.65 4.17 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 113.774 1.027 . . . . 31.33 113.774 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -112.84 128.33 69.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 122.861 0.465 . . . . 32.15 110.071 -166.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.4 m -120.97 146.57 46.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.167 -1.049 . . . . 27.36 108.167 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.6 mt -109.47 116.82 53.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 107.909 -1.145 . . . . 33.4 107.909 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.28 137.72 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 108.36 -0.978 . . . . 27.35 108.36 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -99.38 119.55 38.15 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.583 -0.895 . . . . 29.68 108.583 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.71 -164.41 33.6 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 121.983 0.768 . . . . 33.94 111.388 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . 0.68 ' HB3' ' HG3' ' A' ' 23' ' ' GLN . 24.7 t0 -100.81 121.21 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.702 -1.249 . . . . 35.4 107.817 178.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.21 72.75 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.325 0.491 . . . . 29.01 112.325 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.01 -48.04 76.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.848 -0.427 . . . . 29.23 109.848 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . 0.68 ' HG3' ' HB3' ' A' ' 20' ' ' ASP . 4.4 mt-30 -64.03 -43.31 95.94 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.07 0.396 . . . . 55.31 112.07 -179.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.07 -47.16 94.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.553 0.692 . . . . 32.12 110.106 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.73 68.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.711 -0.796 . . . . 34.14 111.727 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -69.22 -23.38 63.89 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.282 -0.967 . . . . 48.35 112.022 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.9 m -78.57 -15.99 57.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.085 0.772 . . . . 33.9 113.085 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -124.41 100.53 6.72 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.013 -0.736 . . . . 40.95 109.013 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.0 -19.13 79.48 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.09 -1.052 . . . . 34.94 114.206 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -89.05 4.44 48.33 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.741 0.771 . . . . 41.04 111.906 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.6 p -87.05 158.21 19.27 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.959 0.885 . . . . 32.27 110.796 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -105.68 130.39 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.541 -1.281 . . . . 25.74 107.541 169.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -93.87 124.76 38.09 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.66 -0.496 . . . . 30.75 109.66 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 t -82.9 122.29 37.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.925 -0.768 . . . . 26.99 108.925 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -91.5 135.54 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.791 -1.188 . . . . 33.88 107.791 168.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.76 97.58 10.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.355 -1.721 . . . . 26.36 106.355 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.94 173.3 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.289 1.042 . . . . 27.92 111.302 -164.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -108.86 -177.56 3.34 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.213 -0.903 . . . . 28.68 109.964 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 73' ' ' LEU . 3.2 m -59.82 -34.09 72.61 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.724 -1.125 . . . . 29.5 111.955 -173.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.76 9.27 37.13 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 112.079 0.4 . . . . 29.73 112.079 -174.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 mt 52.05 35.6 16.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.593 0.711 . . . . 34.22 111.084 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.91 105.71 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.607 -1.257 . . . . 50.58 107.607 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 59' ' ' VAL . 14.0 m-70 -95.95 62.67 2.25 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 122.118 0.961 . . . . 33.42 110.799 -171.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.03 -25.67 51.48 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.379 -1.282 . . . . 36.38 115.834 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.77 -175.03 32.36 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 118.167 0.984 . . . . 31.53 113.058 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.44 -152.39 50.71 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 118.307 -1.901 . . . . 37.18 109.949 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 tt -71.72 -21.62 21.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 117.77 -1.572 . . . . 31.96 110.988 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.69 93.75 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 118.882 -1.127 . . . . 32.9 110.557 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.22 83.26 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 119.954 -1.117 . . . . 33.86 112.723 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.17 89.41 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 117.025 0.412 . . . . 34.81 110.791 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.82 -48.57 63.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.34 -0.544 . . . . 29.86 110.255 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.2 -39.21 69.37 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 119.843 -0.743 . . . . 27.33 111.201 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -39.46 66.07 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.114 -0.634 . . . . 27.72 111.031 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.12 -36.78 75.78 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.702 -0.399 . . . . 29.66 111.447 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 p -87.99 8.0 28.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.942 0.719 . . . . 24.95 112.942 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 62.11 41.14 11.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.335 0.588 . . . . 38.0 112.285 170.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.85 -13.82 60.09 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-O 119.247 -0.751 . . . . 31.96 114.748 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.23 -41.34 97.04 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 117.965 0.882 . . . . 28.33 111.868 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' CD2' ' A' ' 43' ' ' HIS . 25.8 t -59.61 -38.82 77.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.272 -0.571 . . . . 28.76 110.456 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -62.87 -44.14 96.91 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.739 -0.784 . . . . 29.45 111.454 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -69.24 -43.47 73.95 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.03 -0.668 . . . . 50.0 111.588 -174.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.41 -45.8 84.18 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.511 0.672 . . . . 28.99 110.242 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -39.92 96.04 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.119 -0.491 . . . . 40.84 111.868 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.71 -39.69 92.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.319 -0.552 . . . . 36.35 111.132 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.17 -41.81 94.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 119.363 -0.935 . . . . 55.23 110.411 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -64.84 -47.06 79.3 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.036 -0.415 . . . . 31.95 111.159 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.18 -36.16 71.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 O-C-N 121.927 -0.483 . . . . 29.08 110.688 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.04 -38.59 89.31 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.722 -1.191 . . . . 33.53 110.375 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.08 21.35 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.723 0.268 . . . . 33.04 111.723 -174.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 3.2 mmmm -99.08 -17.78 18.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.05 1.13 . . . . 42.81 114.05 -176.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.3 173.81 50.01 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.75 -1.34 . . . . 33.4 109.75 -170.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.44 157.51 45.07 Favored 'Trans proline' 0 C--N 1.33 -0.424 0 CA-C-O 122.711 1.046 . . . . 32.68 113.633 -170.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 39' ' ' THR . 38.8 mt -85.96 147.84 26.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.236 -1.347 . . . . 31.03 111.007 -178.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.97 171.09 15.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.866 0.841 . . . . 39.8 110.065 171.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.5 t -78.43 139.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.443 -0.947 . . . . 30.42 108.443 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.54 -8.79 60.81 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-O 119.14 -0.811 . . . . 32.14 114.023 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.98 154.37 42.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.0 0.905 . . . . 44.94 110.675 170.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.0 p -137.44 152.86 50.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.823 -1.08 . . . . 27.78 108.3 172.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -139.07 129.1 31.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.168 -0.679 . . . . 29.19 109.168 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 tp -81.7 123.34 28.65 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.46 -0.57 . . . . 29.9 109.46 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 43.6 mt -125.33 -171.57 2.4 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.433 -0.507 . . . . 30.45 110.878 177.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 304' ' ' HOH . 32.2 mt-30 -65.25 162.87 16.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 122.329 1.061 . . . . 32.52 111.421 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.63 -20.03 25.64 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.218 -0.901 . . . . 26.85 111.679 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 53.77 38.68 29.04 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.907 0.861 . . . . 36.85 110.312 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.8 p 55.88 16.13 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.871 1.668 . . . . 31.49 113.882 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.96 -20.37 25.98 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 119.304 0.956 . . . . 31.8 111.816 165.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.12 13.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.277 -1.379 . . . . 26.78 107.277 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -51.88 -38.14 54.96 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.682 -0.69 . . . . 39.02 110.112 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 81' ' ' LEU . 4.5 m120 -160.38 160.32 32.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.283 -1.006 . . . . 30.35 108.283 -176.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.2 mt -117.8 123.59 71.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.305 -1.368 . . . . 29.77 107.305 172.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.07 109.34 22.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.593 -1.262 . . . . 28.1 107.593 176.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -85.11 118.75 24.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.714 -1.217 . . . . 29.27 107.714 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.11 131.52 72.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 107.036 -1.468 . . . . 29.68 107.036 -170.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.5 t -109.7 91.82 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.67 -0.863 . . . . 32.31 108.67 -174.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.67 161.09 53.95 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 121.63 0.572 . . . . 31.75 111.798 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.25 149.75 57.96 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 CA-C-O 122.18 0.825 . . . . 32.39 111.953 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -103.78 106.86 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.669 -1.234 . . . . 36.67 107.669 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.42 79.98 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.008 -0.677 . . . . 35.51 111.15 -174.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -49.62 -44.21 47.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.366 -0.534 . . . . 44.71 110.967 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.37 11.23 3.07 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.718 0.636 . . . . 38.27 112.718 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttm 56.79 44.49 23.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.248 0.547 . . . . 45.89 111.796 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -89.72 153.86 20.38 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.545 0.688 . . . . 39.47 110.836 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.51 111.54 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.827 . . . . 41.29 109.66 -173.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.4 -23.34 22.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 123.371 0.669 . . . . 37.13 111.438 -175.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' A' ' 140' ' ' TYR . 16.0 p -67.27 -10.69 53.23 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.21 -0.596 . . . . 36.54 112.342 173.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.9 -16.12 62.84 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.825 -0.75 . . . . 33.34 111.548 170.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.82 -31.91 63.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.743 -0.383 . . . . 33.52 111.411 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -61.86 -40.03 93.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.851 0.358 . . . . 37.14 110.519 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -66.01 -43.22 88.32 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.902 -0.319 . . . . 39.11 110.764 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.5 m -56.59 -49.86 73.65 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 111.924 0.342 . . . . 35.46 111.924 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -73.9 -30.7 62.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.861 -0.736 . . . . 26.24 112.028 -174.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . 0.525 ' HE2' ' OE1' ' A' ' 144' ' ' GLU . 14.6 mmtt -53.74 -38.99 64.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.647 0.26 . . . . 50.95 110.732 175.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.0 -28.31 67.6 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.054 0.39 . . . . 25.32 112.054 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.8 mtm -68.55 -17.61 64.18 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 112.138 0.421 . . . . 34.24 112.138 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -75.39 -10.03 59.09 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.639 -1.224 . . . . 33.1 113.529 -172.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.22 -5.53 44.97 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.804 0.668 . . . . 32.6 112.804 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.53 144.13 37.77 Favored Pre-proline 0 C--O 1.24 0.573 0 C-N-CA 118.936 -1.106 . . . . 33.14 111.143 -175.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.31 -29.07 21.81 Favored 'Trans proline' 0 C--O 1.238 0.515 0 N-CA-C 113.487 0.533 . . . . 34.62 113.487 -173.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 tp -141.62 127.3 19.1 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.084 -0.71 . . . . 31.69 109.084 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.36 134.79 58.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.764 -0.828 . . . . 27.6 108.764 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.96 118.92 59.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.221 -1.77 . . . . 23.76 106.221 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -135.97 145.06 51.02 Favored Pre-proline 0 C--O 1.243 0.719 0 N-CA-C 112.437 0.532 . . . . 27.0 112.437 -170.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.47 -178.45 4.6 Favored 'Trans proline' 0 C--N 1.32 -0.973 0 N-CA-C 107.982 -1.584 . . . . 27.7 107.982 163.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 162' ' ' LEU . 68.9 mt -83.84 109.62 17.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.452 -1.314 . . . . 27.35 107.452 172.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.49 137.72 24.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-O 121.289 0.566 . . . . 27.87 110.046 -176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.1 m 68.42 7.16 5.81 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 126.175 1.79 . . . . 37.24 113.428 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 132' ' ' VAL . . . -90.26 2.1 55.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.845 1.054 . . . . 41.39 113.845 -167.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLY . . . . . 0.542 ' HA3' ' O1B' ' A' ' 201' ' ' ATP . . . -111.12 -101.65 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 118.745 -1.693 . . . . 42.23 114.468 177.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ILE . . . . . 0.441 HG12 ' O2B' ' A' ' 201' ' ' ATP . 15.7 pt -68.44 -27.88 38.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 119.088 -1.045 . . . . 43.54 111.314 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -69.81 -6.33 31.58 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.373 0.879 . . . . 36.13 113.373 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.19 78.58 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 117.481 1.752 . . . . 34.63 117.481 160.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 127' ' ' ALA . 86.3 t -87.46 132.15 33.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 119.067 1.434 . . . . 33.76 108.414 176.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -62.03 139.99 95.88 Favored Pre-proline 0 C--O 1.241 0.62 0 C-N-CA 120.517 -0.473 . . . . 43.5 109.943 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.62 -42.55 64.02 Favored 'Trans proline' 0 CA--C 1.511 -0.647 0 CA-C-N 118.531 0.511 . . . . 30.89 112.165 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.53 64.58 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.124 -0.489 . . . . 28.36 111.505 173.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.54 67.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 119.244 -0.982 . . . . 29.25 110.162 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.6 t -59.79 -45.64 91.68 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 119.852 -0.739 . . . . 27.12 111.067 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.8 -36.2 69.63 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.074 -0.65 . . . . 32.6 111.543 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.92 -43.15 99.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.123 -0.361 . . . . 34.01 111.324 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' TYR . . . . . 0.405 ' CE1' ' HA ' ' A' ' 105' ' ' SER . 56.4 m-85 -65.1 -36.76 85.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.475 -0.49 . . . . 28.65 110.793 176.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 149' ' ' VAL . 4.7 tt -67.37 -50.43 59.77 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 118.544 -1.263 . . . . 32.99 111.192 -178.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.3 tp -64.63 -23.62 33.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 119.184 -1.006 . . . . 32.73 111.145 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -71.77 -34.45 69.45 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 119.162 -0.447 . . . . 39.78 112.15 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLU . . . . . 0.525 ' OE1' ' HE2' ' A' ' 112' ' ' LYS . 52.3 mm-40 -99.75 -21.36 15.82 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 114.535 1.309 . . . . 36.99 114.535 -174.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.66 112.73 4.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.727 0.694 . . . . 28.83 109.563 -170.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -109.79 -3.01 16.97 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 122.891 0.476 . . . . 36.53 111.874 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 t -119.24 179.74 4.09 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.961 0.904 . . . . 32.64 109.453 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -78.54 115.59 18.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.564 -0.289 . . . . 45.29 110.379 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 141' ' ' LEU . 93.2 t -126.06 122.7 62.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 108.586 -0.894 . . . . 28.58 108.586 -171.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 70.8 mt -101.48 107.02 18.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.811 -1.551 . . . . 27.12 106.811 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.0 121.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 106.267 -1.753 . . . . 27.39 106.267 -178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.5 t -115.62 121.29 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.592 -0.892 . . . . 28.93 108.592 -167.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.17 132.16 68.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.922 -1.51 . . . . 29.71 106.922 -176.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 37.6 p-10 -106.41 -1.87 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.971 0.73 . . . . 41.44 112.971 -171.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.2 t -92.65 136.12 33.5 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.103 -1.073 . . . . 34.67 108.103 165.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.61 -34.75 67.57 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.305 -0.958 . . . . 54.27 110.654 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.74 -47.65 83.88 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.617 -0.433 . . . . 48.19 111.121 176.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.43 -39.99 76.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.706 -0.798 . . . . 34.18 110.266 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -63.82 -43.99 94.58 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 121.885 -0.509 . . . . 33.05 111.095 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -63.54 -40.89 98.19 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.379 -0.529 . . . . 48.33 111.218 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.8 t -63.6 -44.82 92.85 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.99 0.424 . . . . 39.44 111.422 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 124' ' ' LEU . 20.0 mt -65.95 -31.26 72.08 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.23 -0.588 . . . . 35.39 111.859 -179.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.4 p -105.68 31.17 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.874 -0.517 . . . . 38.03 111.655 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mm . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 126.001 1.72 . . . . 49.88 113.234 169.155 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ATP . . . . . 0.825 ' O2A' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.825 ' O ' ' O2A' ' A' ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.2 m80 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.653 0.242 . . . . 62.62 111.653 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.37 136.21 95.62 Favored Pre-proline 0 C--O 1.236 0.349 0 C-N-CA 120.326 -0.55 . . . . 76.44 109.765 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -47.66 -48.95 14.44 Favored 'Trans proline' 0 C--O 1.241 0.672 0 N-CA-C 116.163 1.563 . . . . 49.57 116.163 -154.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.56 -12.28 57.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 113.232 0.827 . . . . 42.59 113.232 -171.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -70.27 -20.13 63.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.699 1.136 . . . . 43.9 112.22 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -67.63 -4.03 10.72 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.606 0.639 . . . . 40.57 112.672 171.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -140.43 151.89 45.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.523 0.678 . . . . 36.7 109.531 -172.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.18 130.33 36.19 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.308 -0.86 . . . . 39.05 109.105 166.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -149.85 160.14 43.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.271 -0.641 . . . . 33.83 109.271 -174.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.06 119.64 11.07 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.644 -0.707 . . . . 32.49 109.165 173.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.31 127.37 26.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.923 -0.769 . . . . 32.12 108.923 174.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mm -95.67 -50.39 11.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.183 0.516 . . . . 32.64 110.969 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p -130.7 177.37 7.45 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.353 -0.98 . . . . 34.07 108.353 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 10.8 pm0 -63.08 -6.61 4.25 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.67 -0.812 . . . . 39.07 111.988 169.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -106.66 -45.65 4.17 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 113.774 1.027 . . . . 31.33 113.774 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.9 t -112.84 128.33 69.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 122.861 0.465 . . . . 32.15 110.071 -166.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.4 m -120.97 146.57 46.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.167 -1.049 . . . . 27.36 108.167 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.6 mt -109.47 116.82 53.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 107.909 -1.145 . . . . 33.4 107.909 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.28 137.72 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 108.36 -0.978 . . . . 27.35 108.36 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -99.38 119.55 38.15 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.583 -0.895 . . . . 29.68 108.583 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.71 -164.41 33.6 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-O 121.983 0.768 . . . . 33.94 111.388 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.68 ' HB3' ' HG3' ' A' ' 23' ' ' GLN . 24.7 t0 -100.81 121.21 41.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.702 -1.249 . . . . 35.4 107.817 178.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.21 72.75 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.325 0.491 . . . . 29.01 112.325 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.01 -48.04 76.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.848 -0.427 . . . . 29.23 109.848 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.68 ' HG3' ' HB3' ' A' ' 20' ' ' ASP . 4.4 mt-30 -64.03 -43.31 95.94 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.07 0.396 . . . . 55.31 112.07 -179.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.07 -47.16 94.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.553 0.692 . . . . 32.12 110.106 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.73 68.09 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.711 -0.796 . . . . 34.14 111.727 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -69.22 -23.38 63.89 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 119.282 -0.967 . . . . 48.35 112.022 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.9 m -78.57 -15.99 57.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.085 0.772 . . . . 33.9 113.085 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -124.41 100.53 6.72 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.013 -0.736 . . . . 40.95 109.013 -176.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.0 -19.13 79.48 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.09 -1.052 . . . . 34.94 114.206 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -89.05 4.44 48.33 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.741 0.771 . . . . 41.04 111.906 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.6 p -87.05 158.21 19.27 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.959 0.885 . . . . 32.27 110.796 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -105.68 130.39 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 107.541 -1.281 . . . . 25.74 107.541 169.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -93.87 124.76 38.09 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.66 -0.496 . . . . 30.75 109.66 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 t -82.9 122.29 37.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.925 -0.768 . . . . 26.99 108.925 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.559 HD21 ' HA ' ' A' ' 48' ' ' ALA . 8.0 t-20 -91.5 135.54 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.791 -1.188 . . . . 33.88 107.791 168.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.76 97.58 10.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.355 -1.721 . . . . 26.36 106.355 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.94 173.3 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.289 1.042 . . . . 27.92 111.302 -164.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -108.86 -177.56 3.34 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.213 -0.903 . . . . 28.68 109.964 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 73' ' ' LEU . 3.2 m -59.82 -34.09 72.61 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.724 -1.125 . . . . 29.5 111.955 -173.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -103.76 9.27 37.13 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 112.079 0.4 . . . . 29.73 112.079 -174.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 mt 52.05 35.6 16.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.593 0.711 . . . . 34.22 111.084 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -84.91 105.71 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.607 -1.257 . . . . 50.58 107.607 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 59' ' ' VAL . 14.0 m-70 -95.95 62.67 2.25 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 122.118 0.961 . . . . 33.42 110.799 -171.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.03 -25.67 51.48 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.379 -1.282 . . . . 36.38 115.834 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.77 -175.03 32.36 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 118.167 0.984 . . . . 31.53 113.058 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.44 -152.39 50.71 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 118.307 -1.901 . . . . 37.18 109.949 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 tt -71.72 -21.62 21.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 117.77 -1.572 . . . . 31.96 110.988 175.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.559 ' HA ' HD21 ' A' ' 35' ' ' ASN . . . -65.32 -41.69 93.75 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 118.882 -1.127 . . . . 32.9 110.557 176.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.22 83.26 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 119.954 -1.117 . . . . 33.86 112.723 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.17 89.41 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 117.025 0.412 . . . . 34.81 110.791 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.82 -48.57 63.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.34 -0.544 . . . . 29.86 110.255 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.2 -39.21 69.37 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 119.843 -0.743 . . . . 27.33 111.201 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -39.46 66.07 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.114 -0.634 . . . . 27.72 111.031 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.12 -36.78 75.78 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.702 -0.399 . . . . 29.66 111.447 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 p -87.99 8.0 28.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.942 0.719 . . . . 24.95 112.942 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 62.11 41.14 11.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.335 0.588 . . . . 38.0 112.285 170.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.85 -13.82 60.09 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-O 119.247 -0.751 . . . . 31.96 114.748 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.23 -41.34 97.04 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 117.965 0.882 . . . . 28.33 111.868 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG12 ' CD2' ' A' ' 43' ' ' HIS . 25.8 t -59.61 -38.82 77.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.272 -0.571 . . . . 28.76 110.456 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -62.87 -44.14 96.91 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.739 -0.784 . . . . 29.45 111.454 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -69.24 -43.47 73.95 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.03 -0.668 . . . . 50.0 111.588 -174.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.41 -45.8 84.18 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.511 0.672 . . . . 28.99 110.242 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -39.92 96.04 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.119 -0.491 . . . . 40.84 111.868 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.71 -39.69 92.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.319 -0.552 . . . . 36.35 111.132 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.17 -41.81 94.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 119.363 -0.935 . . . . 55.23 110.411 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -64.84 -47.06 79.3 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.036 -0.415 . . . . 31.95 111.159 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.18 -36.16 71.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 O-C-N 121.927 -0.483 . . . . 29.08 110.688 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.04 -38.59 89.31 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.722 -1.191 . . . . 33.53 110.375 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.08 21.35 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 111.723 0.268 . . . . 33.04 111.723 -174.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 3.2 mmmm -99.08 -17.78 18.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.05 1.13 . . . . 42.81 114.05 -176.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.3 173.81 50.01 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 109.75 -1.34 . . . . 33.4 109.75 -170.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.44 157.51 45.07 Favored 'Trans proline' 0 C--N 1.33 -0.424 0 CA-C-O 122.711 1.046 . . . . 32.68 113.633 -170.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 39' ' ' THR . 38.8 mt -85.96 147.84 26.04 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.236 -1.347 . . . . 31.03 111.007 -178.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -75.97 171.09 15.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.866 0.841 . . . . 39.8 110.065 171.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.5 t -78.43 139.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.443 -0.947 . . . . 30.42 108.443 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.54 -8.79 60.81 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-O 119.14 -0.811 . . . . 32.14 114.023 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.98 154.37 42.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.0 0.905 . . . . 44.94 110.675 170.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.0 p -137.44 152.86 50.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.823 -1.08 . . . . 27.78 108.3 172.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -139.07 129.1 31.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.168 -0.679 . . . . 29.19 109.168 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 tp -81.7 123.34 28.65 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.46 -0.57 . . . . 29.9 109.46 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 43.6 mt -125.33 -171.57 2.4 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.433 -0.507 . . . . 30.45 110.878 177.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 304' ' ' HOH . 32.2 mt-30 -65.25 162.87 16.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 122.329 1.061 . . . . 32.52 111.421 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.63 -20.03 25.64 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.218 -0.901 . . . . 26.85 111.679 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 53.77 38.68 29.04 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.907 0.861 . . . . 36.85 110.312 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.8 p 55.88 16.13 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.871 1.668 . . . . 31.49 113.882 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.96 -20.37 25.98 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 119.304 0.956 . . . . 31.8 111.816 165.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.29 168.12 13.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.277 -1.379 . . . . 26.78 107.277 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -51.88 -38.14 54.96 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.682 -0.69 . . . . 39.02 110.112 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 81' ' ' LEU . 4.5 m120 -160.38 160.32 32.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.283 -1.006 . . . . 30.35 108.283 -176.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 76.2 mt -117.8 123.59 71.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.305 -1.368 . . . . 29.77 107.305 172.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.07 109.34 22.11 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.593 -1.262 . . . . 28.1 107.593 176.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -85.11 118.75 24.86 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.714 -1.217 . . . . 29.27 107.714 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.11 131.52 72.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 107.036 -1.468 . . . . 29.68 107.036 -170.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.5 t -109.7 91.82 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.67 -0.863 . . . . 32.31 108.67 -174.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.67 161.09 53.95 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 121.63 0.572 . . . . 31.75 111.798 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.25 149.75 57.96 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 CA-C-O 122.18 0.825 . . . . 32.39 111.953 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -103.78 106.86 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.669 -1.234 . . . . 36.67 107.669 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.42 79.98 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.008 -0.677 . . . . 35.51 111.15 -174.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -49.62 -44.21 47.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.366 -0.534 . . . . 44.71 110.967 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.37 11.23 3.07 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.718 0.636 . . . . 38.27 112.718 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttm 56.79 44.49 23.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.248 0.547 . . . . 45.89 111.796 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -89.72 153.86 20.38 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.545 0.688 . . . . 39.47 110.836 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.51 111.54 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.827 . . . . 41.29 109.66 -173.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.4 -23.34 22.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 123.371 0.669 . . . . 37.13 111.438 -175.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' A' ' 140' ' ' TYR . 16.0 p -67.27 -10.69 53.23 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.21 -0.596 . . . . 36.54 112.342 173.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.9 -16.12 62.84 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.825 -0.75 . . . . 33.34 111.548 170.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.82 -31.91 63.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.743 -0.383 . . . . 33.52 111.411 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -61.86 -40.03 93.93 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.851 0.358 . . . . 37.14 110.519 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -66.01 -43.22 88.32 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.902 -0.319 . . . . 39.11 110.764 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.5 m -56.59 -49.86 73.65 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 111.924 0.342 . . . . 35.46 111.924 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -73.9 -30.7 62.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.861 -0.736 . . . . 26.24 112.028 -174.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.525 ' HE2' ' OE1' ' A' ' 144' ' ' GLU . 14.6 mmtt -53.74 -38.99 64.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.647 0.26 . . . . 50.95 110.732 175.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.0 -28.31 67.6 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.054 0.39 . . . . 25.32 112.054 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.8 mtm -68.55 -17.61 64.18 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 112.138 0.421 . . . . 34.24 112.138 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -75.39 -10.03 59.09 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.639 -1.224 . . . . 33.1 113.529 -172.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.22 -5.53 44.97 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.804 0.668 . . . . 32.6 112.804 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -120.53 144.13 37.77 Favored Pre-proline 0 C--O 1.24 0.573 0 C-N-CA 118.936 -1.106 . . . . 33.14 111.143 -175.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.31 -29.07 21.81 Favored 'Trans proline' 0 C--O 1.238 0.515 0 N-CA-C 113.487 0.533 . . . . 34.62 113.487 -173.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 tp -141.62 127.3 19.1 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.084 -0.71 . . . . 31.69 109.084 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.36 134.79 58.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.764 -0.828 . . . . 27.6 108.764 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.96 118.92 59.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.221 -1.77 . . . . 23.76 106.221 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -135.97 145.06 51.02 Favored Pre-proline 0 C--O 1.243 0.719 0 N-CA-C 112.437 0.532 . . . . 27.0 112.437 -170.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.47 -178.45 4.6 Favored 'Trans proline' 0 C--N 1.32 -0.973 0 N-CA-C 107.982 -1.584 . . . . 27.7 107.982 163.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 162' ' ' LEU . 68.9 mt -83.84 109.62 17.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.452 -1.314 . . . . 27.35 107.452 172.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.49 137.72 24.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-O 121.289 0.566 . . . . 27.87 110.046 -176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.1 m 68.42 7.16 5.81 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 126.175 1.79 . . . . 37.24 113.428 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 132' ' ' VAL . . . -90.26 2.1 55.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.845 1.054 . . . . 41.39 113.845 -167.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.542 ' HA3' ' O1B' ' A' ' 201' ' ' ATP . . . -111.12 -101.65 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 118.745 -1.693 . . . . 42.23 114.468 177.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.441 HG12 ' O2B' ' A' ' 201' ' ' ATP . 15.7 pt -68.44 -27.88 38.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 119.088 -1.045 . . . . 43.54 111.314 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -69.81 -6.33 31.58 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.373 0.879 . . . . 36.13 113.373 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.69 5.19 78.58 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 117.481 1.752 . . . . 34.63 117.481 160.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 127' ' ' ALA . 86.3 t -87.46 132.15 33.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 119.067 1.434 . . . . 33.76 108.414 176.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -62.03 139.99 95.88 Favored Pre-proline 0 C--O 1.241 0.62 0 C-N-CA 120.517 -0.473 . . . . 43.5 109.943 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.62 -42.55 64.02 Favored 'Trans proline' 0 CA--C 1.511 -0.647 0 CA-C-N 118.531 0.511 . . . . 30.89 112.165 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.53 64.58 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.124 -0.489 . . . . 28.36 111.505 173.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.54 67.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 119.244 -0.982 . . . . 29.25 110.162 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.6 t -59.79 -45.64 91.68 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 119.852 -0.739 . . . . 27.12 111.067 174.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -56.8 -36.2 69.63 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.074 -0.65 . . . . 32.6 111.543 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.92 -43.15 99.43 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.123 -0.361 . . . . 34.01 111.324 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.405 ' CE1' ' HA ' ' A' ' 105' ' ' SER . 56.4 m-85 -65.1 -36.76 85.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.475 -0.49 . . . . 28.65 110.793 176.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 149' ' ' VAL . 4.7 tt -67.37 -50.43 59.77 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 118.544 -1.263 . . . . 32.99 111.192 -178.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.3 tp -64.63 -23.62 33.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 119.184 -1.006 . . . . 32.73 111.145 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -71.77 -34.45 69.45 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 119.162 -0.447 . . . . 39.78 112.15 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.525 ' OE1' ' HE2' ' A' ' 112' ' ' LYS . 52.3 mm-40 -99.75 -21.36 15.82 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 114.535 1.309 . . . . 36.99 114.535 -174.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.66 112.73 4.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.727 0.694 . . . . 28.83 109.563 -170.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -109.79 -3.01 16.97 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 122.891 0.476 . . . . 36.53 111.874 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 t -119.24 179.74 4.09 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.961 0.904 . . . . 32.64 109.453 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -78.54 115.59 18.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.564 -0.289 . . . . 45.29 110.379 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 141' ' ' LEU . 93.2 t -126.06 122.7 62.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 108.586 -0.894 . . . . 28.58 108.586 -171.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 70.8 mt -101.48 107.02 18.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.811 -1.551 . . . . 27.12 106.811 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.0 121.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 106.267 -1.753 . . . . 27.39 106.267 -178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 55.5 t -115.62 121.29 66.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.592 -0.892 . . . . 28.93 108.592 -167.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.17 132.16 68.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.922 -1.51 . . . . 29.71 106.922 -176.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 37.6 p-10 -106.41 -1.87 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.971 0.73 . . . . 41.44 112.971 -171.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 1.2 t -92.65 136.12 33.5 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.103 -1.073 . . . . 34.67 108.103 165.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.61 -34.75 67.57 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.305 -0.958 . . . . 54.27 110.654 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.74 -47.65 83.88 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.617 -0.433 . . . . 48.19 111.121 176.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.43 -39.99 76.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.706 -0.798 . . . . 34.18 110.266 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -63.82 -43.99 94.58 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 121.885 -0.509 . . . . 33.05 111.095 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -63.54 -40.89 98.19 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.379 -0.529 . . . . 48.33 111.218 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.8 t -63.6 -44.82 92.85 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.99 0.424 . . . . 39.44 111.422 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 124' ' ' LEU . 20.0 mt -65.95 -31.26 72.08 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.23 -0.588 . . . . 35.39 111.859 -179.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.4 p -105.68 31.17 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.874 -0.517 . . . . 38.03 111.655 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.1 mm . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 126.001 1.72 . . . . 49.88 113.234 169.155 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ATP . . . . . 0.825 ' O2A' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.825 ' O ' ' O2A' ' A' ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.459 ' O ' ' HB3' ' A' ' 82' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_