data_2aub_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2aub _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--O 1.234 0.251 0 CA-C-O 116.758 -1.592 . . . . 50.68 106.865 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.49 104.16 15.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 106.529 -1.656 . . . . 27.21 106.529 171.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.99 145.58 54.36 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 120.511 -1.368 . . . . 28.38 111.706 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.19 161.9 54.5 Favored Glycine 0 CA--C 1.548 2.145 0 C-N-CA 117.937 -2.078 . . . . 20.68 109.025 161.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -57.66 -59.87 4.53 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 123.353 1.549 . . . . 34.66 111.99 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.2 m -66.98 -31.2 71.6 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 118.239 -1.385 . . . . 24.77 113.156 179.094 -68.227 -55.74 -80.306 104.617 1.995 106.687 -45.899 -56.488 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.189 0.996 . . . . 31.29 108.441 173.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.61 -42.88 86.16 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.272 -0.877 . . . . 21.75 110.203 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.41 -46.54 73.16 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 120.861 -1.149 . . . . 21.58 110.88 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 123.297 1.522 . . . . 24.91 113.122 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.87 76.6 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 114.984 -1.007 . . . . 20.97 110.835 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.1 mtt -60.07 -42.84 95.43 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 119.294 -0.962 . . . . 23.05 110.435 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' NZ ' ' OXT' ' A' ' 129' ' ' LEU . 77.7 tttt -64.18 -43.8 94.02 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 124.239 1.971 . . . . 40.32 110.692 -179.233 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -61.71 -34.65 76.16 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 118.524 -2.61 . . . . 69.94 112.096 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.38 10.07 11.59 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 116.622 -1.656 . . . . 47.0 113.86 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.9 20.56 63.05 Favored Glycine 0 N--CA 1.441 -1.008 0 O-C-N 125.022 1.451 . . . . 28.69 116.261 170.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.34 -15.26 43.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 114.202 -2.809 . . . . 27.07 112.352 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.25 119.66 9.45 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 124.578 3.354 . . . . 74.4 110.571 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 59.28 22.12 10.39 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-O 115.735 -2.079 . . . . 58.12 114.015 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.02 128.76 37.21 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 122.19 2.268 . . . . 33.55 106.835 170.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 48.73 32.13 3.45 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.058 -0.973 . . . . 73.37 112.511 -171.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 5.04 87.63 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.781 -1.01 . . . . 19.55 115.485 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -99.22 115.17 28.49 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 118.169 0.985 . . . . 22.7 110.269 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.1 p -62.69 160.22 14.62 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 114.252 -1.34 . . . . 23.43 110.91 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -54.08 -41.25 68.03 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 121.663 -0.648 . . . . 24.95 112.071 -177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -31.77 78.79 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.173 -1.58 . . . . 19.1 113.617 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -58.51 -43.69 89.19 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.313 -1.11 . . . . 17.19 112.324 173.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.8 -40.76 75.79 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.021 -0.536 . . . . 22.46 111.145 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.67 -44.5 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.657 0.741 . . . . 15.71 110.551 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.1 t -58.25 -45.06 88.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.994 -1.066 . . . . 17.01 111.264 177.046 -174.024 -88.499 -93.72 103.017 2.05 102.047 -78.695 -57.617 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.92 83.82 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.439 -0.949 . . . . 20.33 108.439 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.07 89.44 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.608 -0.682 . . . . 17.28 111.585 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -56.79 -51.3 69.47 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.27 -0.572 . . . . 39.5 109.579 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -85.76 -17.08 36.87 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 118.063 -0.97 . . . . 22.05 112.49 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.11 -46.63 17.64 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 120.016 1.28 . . . . 21.78 110.832 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.6 p -131.64 -4.39 3.7 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 114.284 1.216 . . . . 21.24 114.284 -167.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 t30 56.08 32.92 20.96 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.425 0.557 . . . . 43.05 110.222 -170.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 67.17 20.49 10.22 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 126.493 1.917 . . . . 21.65 113.093 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -100.14 112.84 25.16 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 119.15 -0.453 . . . . 22.27 109.84 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -60.55 -24.2 65.21 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 114.09 1.145 . . . . 18.07 114.09 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.24 -0.65 57.36 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-O 118.765 -0.636 . . . . 26.69 112.145 -174.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.37 134.57 56.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.979 1.263 . . . . 16.49 112.04 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 p -135.62 139.89 44.15 Favored 'General case' 0 C--O 1.208 -1.126 0 C-N-CA 124.68 1.192 . . . . 20.79 108.329 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -146.79 127.11 13.93 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.103 -0.998 . . . . 88.49 109.29 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -76.31 135.54 39.58 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 121.775 -0.578 . . . . 83.69 111.418 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -91.65 158.18 16.55 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.604 1.162 . . . . 36.52 109.516 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.5 p -58.8 -31.83 68.79 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 114.114 1.153 . . . . 51.98 114.114 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.64 ' CG ' ' NH2' ' A' ' 61' ' ' ARG . 54.4 p30 -78.26 0.8 23.83 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.631 0.604 . . . . 36.08 112.631 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.25 -10.8 72.9 Favored Glycine 0 C--N 1.376 2.787 0 CA-C-N 119.975 1.261 . . . . 24.8 114.111 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . 0.49 ' OG ' ' ND2' ' A' ' 59' ' ' ASN . 93.8 p -75.95 172.51 12.61 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.394 -0.965 . . . . 19.59 108.394 171.4 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.7 m -134.16 146.34 50.1 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.379 -1.341 . . . . 19.96 107.379 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.2 140.08 36.96 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.598 -1.183 . . . . 36.86 109.835 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -129.91 133.11 46.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 125.091 1.495 . . . . 21.27 112.28 -170.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.13 -168.64 43.02 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 114.743 -1.117 . . . . 16.32 115.692 163.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 tp -55.37 -30.01 24.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 111.829 -2.185 . . . . 32.61 113.29 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.7 mt -119.55 17.36 12.88 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.582 1.953 . . . . 21.63 112.605 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 49.28 49.64 19.37 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 123.861 1.791 . . . . 18.79 112.917 167.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.76 114.54 7.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 CA-C-N 113.222 -1.808 . . . . 25.56 109.279 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' ND2' ' OG ' ' A' ' 50' ' ' SER . 24.4 t-20 -74.94 145.59 42.46 Favored 'General case' 0 C--N 1.347 0.489 1 O-C-N 112.766 -6.209 . . . . 35.46 112.773 -175.716 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -81.65 -2.85 51.8 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.221 -1.808 . . . . 24.42 115.77 -175.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.64 ' NH2' ' CG ' ' A' ' 48' ' ' ASP . 58.1 ttm-85 -76.48 -62.09 1.74 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.338 -1.476 . . . . 82.24 109.143 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -85.18 -31.0 23.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.731 1.382 . . . . 105.92 114.731 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -105.37 -33.91 8.01 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 117.376 2.361 . . . . 23.93 117.376 -155.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.02 162.04 37.22 Favored 'General case' 1 C--N 1.491 6.724 3 O-C-N 111.297 -7.127 . . . . 20.69 108.542 -174.681 62.491 81.61 96.456 103.239 2.042 104.375 -60.631 -61.74 3 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -101.15 125.73 47.8 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 119.277 -0.969 . . . . 31.68 111.194 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -118.53 2.46 11.78 Favored 'General case' 0 C--N 1.362 1.144 0 CA-C-N 114.152 -1.386 . . . . 22.8 111.726 172.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.97 1.56 41.01 Favored Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 117.074 1.59 . . . . 32.32 117.074 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -126.47 14.73 7.66 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 115.243 1.571 . . . . 32.38 115.243 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.1 m -118.83 79.66 17.06 Favored Pre-proline 0 C--O 1.242 0.684 0 CA-C-N 120.229 1.377 . . . . 28.23 111.575 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.395 0.0 OUTLIER -51.46 133.09 42.41 Favored 'Trans proline' 0 CA--C 1.505 -0.927 0 O-C-N 124.634 1.86 . . . . 57.6 114.751 -174.262 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.19 -6.59 81.26 Favored Glycine 0 CA--C 1.471 -2.689 0 N-CA-C 119.078 2.391 . . . . 59.96 119.078 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.2 p -83.91 170.41 14.06 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 126.91 2.182 . . . . 56.43 113.889 -175.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ARG . 12.3 mmm-85 -110.33 173.89 6.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 112.079 -2.328 . . . . 98.61 106.912 178.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -141.83 65.94 1.36 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 112.94 -1.937 . . . . 25.68 107.772 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 146' ' ' HOH . 48.9 mt -71.39 -12.59 61.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 115.239 1.57 . . . . 36.08 115.239 -170.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.09 -2.29 43.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 123.008 2.64 . . . . 21.62 112.659 175.367 -67.589 173.648 79.945 103.533 2.037 103.678 58.395 -173.447 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.6 t30 45.44 67.27 0.75 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 124.42 2.057 . . . . 114.82 112.053 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.6 pt -159.84 157.0 25.36 Favored Pre-proline 0 C--O 1.251 1.171 0 CA-C-N 112.694 -2.048 . . . . 36.62 108.762 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -71.92 141.04 36.11 Favored 'Trans proline' 0 C--O 1.253 1.23 0 O-C-N 124.932 2.017 . . . . 21.84 108.464 171.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.54 -32.86 69.27 Favored 'General case' 0 CA--C 1.511 -0.549 0 O-C-N 120.194 -1.567 . . . . 18.51 112.82 176.548 -61.74 -60.631 96.456 104.375 2.042 103.239 81.61 62.491 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -61.05 -27.75 68.56 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 118.54 -1.264 . . . . 24.5 110.935 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -15.71 61.21 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 119.988 -1.695 . . . . 26.37 113.81 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 74.0 mt -84.45 1.07 47.17 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 119.755 -1.841 . . . . 27.67 111.725 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.3 mt -105.24 -2.5 24.02 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 119.84 -1.788 . . . . 26.05 112.464 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 p -59.82 151.23 26.06 Favored 'General case' 0 CA--C 1.49 -1.335 0 C-N-CA 124.565 1.146 . . . . 30.4 112.55 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.0 m -60.69 -30.12 69.74 Favored 'General case' 0 N--CA 1.409 -2.511 0 O-C-N 118.315 -2.741 . . . . 65.3 112.909 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.93 127.48 36.41 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 104.922 -2.251 . . . . 65.1 104.922 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.2 pt -89.4 10.29 2.33 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 N-CA-C 114.097 1.147 . . . . 24.22 114.097 -172.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.4 m -49.97 -51.83 38.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.936 1.35 . . . . 28.01 112.68 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.59 91.67 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 120.363 -1.461 . . . . 22.34 111.666 -174.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 m -61.99 -42.15 98.83 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.018 -1.073 . . . . 19.57 111.606 176.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.22 -43.16 95.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 C-N-CA 118.275 -1.37 . . . . 27.93 111.897 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.8 -41.7 87.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 122.646 1.213 . . . . 38.71 111.104 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.4 -42.23 68.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.347 -0.845 . . . . 22.34 111.261 -179.1 -173.447 58.395 79.945 103.678 2.037 103.533 173.648 -67.589 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.36 72.09 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.498 0.555 . . . . 16.83 112.498 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.81 -42.0 96.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 119.36 -0.936 . . . . 27.36 109.522 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -63.07 -45.5 91.86 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.944 -1.097 . . . . 141.23 111.867 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.82 -47.95 89.5 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 O-C-N 121.135 -0.978 . . . . 21.1 110.688 -177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.01 -11.46 14.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 118.624 -0.703 . . . . 25.13 111.367 -173.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -90.12 -4.73 57.14 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 113.238 0.829 . . . . 35.98 113.238 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.78 -12.88 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 115.654 -2.117 . . . . 57.46 113.043 -166.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.53 -29.93 2.55 Favored Glycine 0 C--O 1.257 1.564 0 O-C-N 125.094 1.496 . . . . 51.68 114.954 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -108.86 13.92 24.56 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-N 118.116 0.958 . . . . 57.88 112.319 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 58.76 -142.29 46.04 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 120.026 -1.083 . . . . 23.24 111.086 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 73.0 mtp -75.8 -5.73 47.28 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 121.554 -0.968 . . . . 18.38 113.298 -176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . 0.444 ' CB ' ' NH1' ' A' ' 112' ' ' ARG . 70.6 m-80 -61.12 -18.21 56.79 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 120.567 -1.333 . . . . 21.47 110.746 175.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.11 -30.46 59.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 119.431 1.014 . . . . 25.21 111.894 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 -91.32 115.9 28.4 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-O 123.464 1.602 . . . . 18.53 110.221 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.46 -36.23 70.52 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 111.428 -2.624 . . . . 53.58 109.429 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.31 80.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 119.658 -1.901 . . . . 21.99 108.461 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -64.45 -47.92 77.25 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 117.945 -1.502 . . . . 20.6 110.58 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . 0.444 ' NH1' ' CB ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -60.1 -46.42 89.65 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 119.309 -0.956 . . . . 81.23 109.612 -178.785 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.03 -21.09 43.92 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 117.002 -1.475 . . . . 22.08 114.838 -173.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -126.54 -19.9 4.48 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 119.678 1.126 . . . . 25.46 113.789 -170.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 65.3 m -112.85 -45.1 3.23 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 120.096 1.317 . . . . 20.26 114.338 -176.053 -57.617 -78.695 -93.72 102.047 2.05 103.017 -88.499 -174.024 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -53.14 128.04 26.35 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.229 -0.896 . . . . 22.64 108.593 -173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.15 -12.11 61.11 Favored Glycine 0 C--O 1.228 -0.273 0 CA-C-O 116.455 -2.303 . . . . 36.09 114.355 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.6 p -89.88 175.09 7.34 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 120.174 1.987 . . . . 34.48 109.686 -175.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -78.99 75.33 5.5 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-O 122.209 1.004 . . . . 55.99 110.783 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.4 m -68.76 -19.78 24.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 114.011 -1.45 . . . . 25.43 113.071 -172.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -61.73 -23.64 66.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.063 -0.655 . . . . 90.67 112.03 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.92 -30.32 58.25 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.325 -0.95 . . . . 23.55 112.491 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -69.69 -15.28 63.14 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 114.121 1.156 . . . . 29.14 114.121 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -108.83 10.99 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 CA-C-N 119.26 0.936 . . . . 48.6 111.823 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.41 136.43 57.45 Favored 'General case' 0 CA--C 1.492 -1.277 0 O-C-N 121.629 -0.669 . . . . 78.1 111.223 177.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.46 -17.83 27.42 Favored Glycine 0 CA--C 1.479 -2.211 0 C-N-CA 117.768 -2.158 . . . . 39.8 116.129 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 61.8 m -77.35 137.68 38.89 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-O 115.3 -2.286 . . . . 25.96 112.558 -173.912 -56.488 -45.899 -80.306 106.687 1.995 104.617 -55.74 -68.227 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.384 23.5 mtp85 -95.01 103.41 15.26 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 128.298 3.499 . . . . 68.7 105.316 173.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . 0.458 ' OXT' ' NZ ' ' A' ' 13' ' ' LYS 0.333 24.1 mt . . . . . 0 C--N 1.355 0.841 1 CA-C-N 106.666 -4.788 . . . . 78.75 109.64 -169.576 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--O 1.234 0.251 0 CA-C-O 116.758 -1.592 . . . . 50.68 106.865 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.49 104.16 15.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 106.529 -1.656 . . . . 27.21 106.529 171.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.99 145.58 54.36 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 120.511 -1.368 . . . . 28.38 111.706 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.19 161.9 54.5 Favored Glycine 0 CA--C 1.548 2.145 0 C-N-CA 117.937 -2.078 . . . . 20.68 109.025 161.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -57.66 -59.87 4.53 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 123.353 1.549 . . . . 34.66 111.99 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.2 m -66.98 -31.2 71.6 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 118.239 -1.385 . . . . 24.77 113.156 179.094 -68.227 -55.74 -80.306 104.617 1.995 106.687 -45.899 -56.488 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.189 0.996 . . . . 31.29 108.441 173.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.61 -42.88 86.16 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.272 -0.877 . . . . 21.75 110.203 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.41 -46.54 73.16 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 120.861 -1.149 . . . . 21.58 110.88 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 123.297 1.522 . . . . 24.91 113.122 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.87 76.6 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 114.984 -1.007 . . . . 20.97 110.835 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.1 mtt -60.07 -42.84 95.43 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 119.294 -0.962 . . . . 23.05 110.435 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.18 -43.8 94.02 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 124.239 1.971 . . . . 40.32 110.692 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -61.71 -34.65 76.16 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 118.524 -2.61 . . . . 69.94 112.096 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.38 10.07 11.59 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 116.622 -1.656 . . . . 47.0 113.86 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.9 20.56 63.05 Favored Glycine 0 N--CA 1.441 -1.008 0 O-C-N 125.022 1.451 . . . . 28.69 116.261 170.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.34 -15.26 43.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 114.202 -2.809 . . . . 27.07 112.352 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.25 119.66 9.45 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 124.578 3.354 . . . . 74.4 110.571 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 59.28 22.12 10.39 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-O 115.735 -2.079 . . . . 58.12 114.015 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.02 128.76 37.21 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 122.19 2.268 . . . . 33.55 106.835 170.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 48.73 32.13 3.45 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.058 -0.973 . . . . 73.37 112.511 -171.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 5.04 87.63 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.781 -1.01 . . . . 19.55 115.485 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -99.22 115.17 28.49 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 118.169 0.985 . . . . 22.7 110.269 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.1 p -62.69 160.22 14.62 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 114.252 -1.34 . . . . 23.43 110.91 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -54.08 -41.25 68.03 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 121.663 -0.648 . . . . 24.95 112.071 -177.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -31.77 78.79 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.173 -1.58 . . . . 19.1 113.617 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -58.51 -43.69 89.19 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.313 -1.11 . . . . 17.19 112.324 173.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.8 -40.76 75.79 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.021 -0.536 . . . . 22.46 111.145 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.67 -44.5 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.657 0.741 . . . . 15.71 110.551 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.1 t -58.25 -45.06 88.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.994 -1.066 . . . . 17.01 111.264 177.046 -174.024 -88.499 -93.72 103.017 2.05 102.047 -78.695 -57.617 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.92 83.82 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.439 -0.949 . . . . 20.33 108.439 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.07 89.44 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.608 -0.682 . . . . 17.28 111.585 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -56.79 -51.3 69.47 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.27 -0.572 . . . . 39.5 109.579 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -85.76 -17.08 36.87 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 118.063 -0.97 . . . . 22.05 112.49 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.11 -46.63 17.64 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 120.016 1.28 . . . . 21.78 110.832 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.6 p -131.64 -4.39 3.7 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 114.284 1.216 . . . . 21.24 114.284 -167.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 t30 56.08 32.92 20.96 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.425 0.557 . . . . 43.05 110.222 -170.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 67.17 20.49 10.22 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 126.493 1.917 . . . . 21.65 113.093 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -100.14 112.84 25.16 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 119.15 -0.453 . . . . 22.27 109.84 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -60.55 -24.2 65.21 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 114.09 1.145 . . . . 18.07 114.09 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.24 -0.65 57.36 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-O 118.765 -0.636 . . . . 26.69 112.145 -174.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.37 134.57 56.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.979 1.263 . . . . 16.49 112.04 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 p -135.62 139.89 44.15 Favored 'General case' 0 C--O 1.208 -1.126 0 C-N-CA 124.68 1.192 . . . . 20.79 108.329 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -146.79 127.11 13.93 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.103 -0.998 . . . . 88.49 109.29 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -76.31 135.54 39.58 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 121.775 -0.578 . . . . 83.69 111.418 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -91.65 158.18 16.55 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.604 1.162 . . . . 36.52 109.516 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.5 p -58.8 -31.83 68.79 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 114.114 1.153 . . . . 51.98 114.114 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.945 ' CG ' HH21 ' A' ' 61' ' ' ARG . 54.4 p30 -78.26 0.8 23.83 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.631 0.604 . . . . 36.08 112.631 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.25 -10.8 72.9 Favored Glycine 0 C--N 1.376 2.787 0 CA-C-N 119.975 1.261 . . . . 24.8 114.111 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -75.95 172.51 12.61 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.394 -0.965 . . . . 19.59 108.394 171.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.7 m -134.16 146.34 50.1 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.379 -1.341 . . . . 19.96 107.379 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 59' ' ' ASN . 96.0 m-20 -102.2 140.08 36.96 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.598 -1.183 . . . . 36.86 109.835 173.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -129.91 133.11 46.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 125.091 1.495 . . . . 21.27 112.28 -170.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.13 -168.64 43.02 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 114.743 -1.117 . . . . 16.32 115.692 163.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 tp -55.37 -30.01 24.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 111.829 -2.185 . . . . 32.61 113.29 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.7 mt -119.55 17.36 12.88 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.582 1.953 . . . . 21.63 112.605 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 49.28 49.64 19.37 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 123.861 1.791 . . . . 18.79 112.917 167.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.76 114.54 7.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 CA-C-N 113.222 -1.808 . . . . 25.56 109.279 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 24.4 t-20 -74.94 145.59 42.46 Favored 'General case' 0 C--N 1.347 0.489 1 O-C-N 112.766 -6.209 . . . . 35.46 112.773 -175.716 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -81.65 -2.85 51.8 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.221 -1.808 . . . . 24.42 115.77 -175.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.945 HH21 ' CG ' ' A' ' 48' ' ' ASP . 58.1 ttm-85 -76.48 -62.09 1.74 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.338 -1.476 . . . . 82.24 109.143 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -85.18 -31.0 23.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.731 1.382 . . . . 105.92 114.731 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.501 ' CD2' HG12 ' A' ' 98' ' ' ILE . 78.1 m95 -105.37 -33.91 8.01 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 117.376 2.361 . . . . 23.93 117.376 -155.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.02 162.04 37.22 Favored 'General case' 1 C--N 1.491 6.724 3 O-C-N 111.297 -7.127 . . . . 20.69 108.542 -174.681 62.491 81.61 96.456 103.239 2.042 104.375 -60.631 -61.74 3 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -101.15 125.73 47.8 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 119.277 -0.969 . . . . 31.68 111.194 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -118.53 2.46 11.78 Favored 'General case' 0 C--N 1.362 1.144 0 CA-C-N 114.152 -1.386 . . . . 22.8 111.726 172.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.97 1.56 41.01 Favored Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 117.074 1.59 . . . . 32.32 117.074 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 168' ' ' HOH . 27.0 ptt180 -126.47 14.73 7.66 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 115.243 1.571 . . . . 32.38 115.243 -179.424 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.1 m -118.83 79.66 17.06 Favored Pre-proline 0 C--O 1.242 0.684 0 CA-C-N 120.229 1.377 . . . . 28.23 111.575 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.395 0.0 OUTLIER -51.46 133.09 42.41 Favored 'Trans proline' 0 CA--C 1.505 -0.927 0 O-C-N 124.634 1.86 . . . . 57.6 114.751 -174.262 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.19 -6.59 81.26 Favored Glycine 0 CA--C 1.471 -2.689 0 N-CA-C 119.078 2.391 . . . . 59.96 119.078 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . 0.834 ' HB2' ' HA ' ' A' ' 61' ' ' ARG . 52.2 p -83.91 170.41 14.06 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 126.91 2.182 . . . . 56.43 113.889 -175.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ARG . 12.3 mmm-85 -110.33 173.89 6.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 112.079 -2.328 . . . . 98.61 106.912 178.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -141.83 65.94 1.36 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 112.94 -1.937 . . . . 25.68 107.772 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 146' ' ' HOH . 48.9 mt -71.39 -12.59 61.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 115.239 1.57 . . . . 36.08 115.239 -170.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.09 -2.29 43.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 123.008 2.64 . . . . 21.62 112.659 175.367 -67.589 173.648 79.945 103.533 2.037 103.678 58.395 -173.447 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.6 t30 45.44 67.27 0.75 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 124.42 2.057 . . . . 114.82 112.053 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CD1' HD21 ' A' ' 83' ' ' LEU . 8.6 pt -159.84 157.0 25.36 Favored Pre-proline 0 C--O 1.251 1.171 0 CA-C-N 112.694 -2.048 . . . . 36.62 108.762 176.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -71.92 141.04 36.11 Favored 'Trans proline' 0 C--O 1.253 1.23 0 O-C-N 124.932 2.017 . . . . 21.84 108.464 171.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.54 -32.86 69.27 Favored 'General case' 0 CA--C 1.511 -0.549 0 O-C-N 120.194 -1.567 . . . . 18.51 112.82 176.548 -61.74 -60.631 96.456 104.375 2.042 103.239 81.61 62.491 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -61.05 -27.75 68.56 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 118.54 -1.264 . . . . 24.5 110.935 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -15.71 61.21 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 119.988 -1.695 . . . . 26.37 113.81 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 78' ' ' ILE . 74.0 mt -84.45 1.07 47.17 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 119.755 -1.841 . . . . 27.67 111.725 176.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.3 mt -105.24 -2.5 24.02 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 119.84 -1.788 . . . . 26.05 112.464 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 p -59.82 151.23 26.06 Favored 'General case' 0 CA--C 1.49 -1.335 0 C-N-CA 124.565 1.146 . . . . 30.4 112.55 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.0 m -60.69 -30.12 69.74 Favored 'General case' 0 N--CA 1.409 -2.511 0 O-C-N 118.315 -2.741 . . . . 65.3 112.909 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.93 127.48 36.41 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 104.922 -2.251 . . . . 65.1 104.922 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.2 pt -89.4 10.29 2.33 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 N-CA-C 114.097 1.147 . . . . 24.22 114.097 -172.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.4 m -49.97 -51.83 38.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.936 1.35 . . . . 28.01 112.68 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.59 91.67 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 120.363 -1.461 . . . . 22.34 111.666 -174.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 m -61.99 -42.15 98.83 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.018 -1.073 . . . . 19.57 111.606 176.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.22 -43.16 95.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 C-N-CA 118.275 -1.37 . . . . 27.93 111.897 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.8 -41.7 87.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 122.646 1.213 . . . . 38.71 111.104 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.4 -42.23 68.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.347 -0.845 . . . . 22.34 111.261 -179.1 -173.447 58.395 79.945 103.678 2.037 103.533 173.648 -67.589 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.36 72.09 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.498 0.555 . . . . 16.83 112.498 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.81 -42.0 96.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 119.36 -0.936 . . . . 27.36 109.522 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 146' ' ' HOH . 77.8 tttt -63.07 -45.5 91.86 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.944 -1.097 . . . . 141.23 111.867 175.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.501 HG12 ' CD2' ' A' ' 63' ' ' TRP . 95.1 mt -59.82 -47.95 89.5 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 O-C-N 121.135 -0.978 . . . . 21.1 110.688 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.01 -11.46 14.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 118.624 -0.703 . . . . 25.13 111.367 -173.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -90.12 -4.73 57.14 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 113.238 0.829 . . . . 35.98 113.238 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.78 -12.88 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 115.654 -2.117 . . . . 57.46 113.043 -166.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.53 -29.93 2.55 Favored Glycine 0 C--O 1.257 1.564 0 O-C-N 125.094 1.496 . . . . 51.68 114.954 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -108.86 13.92 24.56 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-N 118.116 0.958 . . . . 57.88 112.319 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 58.76 -142.29 46.04 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 120.026 -1.083 . . . . 23.24 111.086 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 73.0 mtp -75.8 -5.73 47.28 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 121.554 -0.968 . . . . 18.38 113.298 -176.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . 0.911 ' HB3' ' NH1' ' A' ' 112' ' ' ARG . 70.6 m-80 -61.12 -18.21 56.79 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 120.567 -1.333 . . . . 21.47 110.746 175.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.11 -30.46 59.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 119.431 1.014 . . . . 25.21 111.894 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 -91.32 115.9 28.4 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-O 123.464 1.602 . . . . 18.53 110.221 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.46 -36.23 70.52 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 111.428 -2.624 . . . . 53.58 109.429 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.31 80.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 119.658 -1.901 . . . . 21.99 108.461 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -64.45 -47.92 77.25 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 117.945 -1.502 . . . . 20.6 110.58 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.911 ' NH1' ' HB3' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -60.1 -46.42 89.65 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 119.309 -0.956 . . . . 81.23 109.612 -178.785 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.03 -21.09 43.92 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 117.002 -1.475 . . . . 22.08 114.838 -173.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -126.54 -19.9 4.48 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 119.678 1.126 . . . . 25.46 113.789 -170.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 65.3 m -112.85 -45.1 3.23 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 120.096 1.317 . . . . 20.26 114.338 -176.053 -57.617 -78.695 -93.72 102.047 2.05 103.017 -88.499 -174.024 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -53.14 128.04 26.35 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.229 -0.896 . . . . 22.64 108.593 -173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.15 -12.11 61.11 Favored Glycine 0 C--O 1.228 -0.273 0 CA-C-O 116.455 -2.303 . . . . 36.09 114.355 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.6 p -89.88 175.09 7.34 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 120.174 1.987 . . . . 34.48 109.686 -175.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -78.99 75.33 5.5 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-O 122.209 1.004 . . . . 55.99 110.783 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.4 m -68.76 -19.78 24.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 114.011 -1.45 . . . . 25.43 113.071 -172.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -61.73 -23.64 66.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.063 -0.655 . . . . 90.67 112.03 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.92 -30.32 58.25 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.325 -0.95 . . . . 23.55 112.491 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -69.69 -15.28 63.14 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 114.121 1.156 . . . . 29.14 114.121 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -108.83 10.99 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 CA-C-N 119.26 0.936 . . . . 48.6 111.823 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.41 136.43 57.45 Favored 'General case' 0 CA--C 1.492 -1.277 0 O-C-N 121.629 -0.669 . . . . 78.1 111.223 177.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.46 -17.83 27.42 Favored Glycine 0 CA--C 1.479 -2.211 0 C-N-CA 117.768 -2.158 . . . . 39.8 116.129 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 61.8 m -77.35 137.68 38.89 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-O 115.3 -2.286 . . . . 25.96 112.558 -173.912 -56.488 -45.899 -80.306 106.687 1.995 104.617 -55.74 -68.227 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.384 23.5 mtp85 -95.01 103.41 15.26 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 128.298 3.499 . . . . 68.7 105.316 173.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.333 24.1 mt . . . . . 0 C--N 1.355 0.841 1 CA-C-N 106.666 -4.788 . . . . 78.75 109.64 -169.576 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . 0.538 ' O ' ' HD3' ' A' ' 97' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.402 ' O ' ' HG3' ' A' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--O 1.234 0.251 0 CA-C-O 116.758 -1.592 . . . . 50.68 106.865 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.49 104.16 15.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 106.529 -1.656 . . . . 27.21 106.529 171.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.99 145.58 54.36 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 120.511 -1.368 . . . . 28.38 111.706 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.19 161.9 54.5 Favored Glycine 0 CA--C 1.548 2.145 0 C-N-CA 117.937 -2.078 . . . . 20.68 109.025 161.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -57.66 -59.87 4.53 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 123.353 1.549 . . . . 34.66 111.99 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.2 m -66.98 -31.2 71.6 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 118.239 -1.385 . . . . 24.77 113.156 179.094 -68.227 -55.74 -80.306 104.617 1.995 106.687 -45.899 -56.488 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.189 0.996 . . . . 31.29 108.441 173.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.61 -42.88 86.16 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.272 -0.877 . . . . 21.75 110.203 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.41 -46.54 73.16 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 120.861 -1.149 . . . . 21.58 110.88 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 123.297 1.522 . . . . 24.91 113.122 -178.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.87 76.6 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 114.984 -1.007 . . . . 20.97 110.835 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 29.1 mtt -60.07 -42.84 95.43 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 119.294 -0.962 . . . . 23.05 110.435 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.18 -43.8 94.02 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 124.239 1.971 . . . . 40.32 110.692 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -61.71 -34.65 76.16 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 118.524 -2.61 . . . . 69.94 112.096 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.38 10.07 11.59 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 116.622 -1.656 . . . . 47.0 113.86 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.9 20.56 63.05 Favored Glycine 0 N--CA 1.441 -1.008 0 O-C-N 125.022 1.451 . . . . 28.69 116.261 170.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.34 -15.26 43.83 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 114.202 -2.809 . . . . 27.07 112.352 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.25 119.66 9.45 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 124.578 3.354 . . . . 74.4 110.571 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 59.28 22.12 10.39 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-O 115.735 -2.079 . . . . 58.12 114.015 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.02 128.76 37.21 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 122.19 2.268 . . . . 33.55 106.835 170.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 48.73 32.13 3.45 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.058 -0.973 . . . . 73.37 112.511 -171.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.29 5.04 87.63 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.781 -1.01 . . . . 19.55 115.485 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -99.22 115.17 28.49 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 118.169 0.985 . . . . 22.7 110.269 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.1 p -62.69 160.22 14.62 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 114.252 -1.34 . . . . 23.43 110.91 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -54.08 -41.25 68.03 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 121.663 -0.648 . . . . 24.95 112.071 -177.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -31.77 78.79 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.173 -1.58 . . . . 19.1 113.617 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -58.51 -43.69 89.19 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.313 -1.11 . . . . 17.19 112.324 173.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.8 -40.76 75.79 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.021 -0.536 . . . . 22.46 111.145 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.67 -44.5 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.657 0.741 . . . . 15.71 110.551 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.1 t -58.25 -45.06 88.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.994 -1.066 . . . . 17.01 111.264 177.046 -174.024 -88.499 -93.72 103.017 2.05 102.047 -78.695 -57.617 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.92 83.82 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.439 -0.949 . . . . 20.33 108.439 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.07 89.44 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.608 -0.682 . . . . 17.28 111.585 -178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -56.79 -51.3 69.47 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.27 -0.572 . . . . 39.5 109.579 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -85.76 -17.08 36.87 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 118.063 -0.97 . . . . 22.05 112.49 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.11 -46.63 17.64 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 120.016 1.28 . . . . 21.78 110.832 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.6 p -131.64 -4.39 3.7 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 114.284 1.216 . . . . 21.24 114.284 -167.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 t30 56.08 32.92 20.96 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.425 0.557 . . . . 43.05 110.222 -170.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 67.17 20.49 10.22 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 126.493 1.917 . . . . 21.65 113.093 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -100.14 112.84 25.16 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 119.15 -0.453 . . . . 22.27 109.84 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.9 p -60.55 -24.2 65.21 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 114.09 1.145 . . . . 18.07 114.09 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.24 -0.65 57.36 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-O 118.765 -0.636 . . . . 26.69 112.145 -174.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.37 134.57 56.64 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.979 1.263 . . . . 16.49 112.04 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 p -135.62 139.89 44.15 Favored 'General case' 0 C--O 1.208 -1.126 0 C-N-CA 124.68 1.192 . . . . 20.79 108.329 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -146.79 127.11 13.93 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 121.103 -0.998 . . . . 88.49 109.29 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -76.31 135.54 39.58 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 121.775 -0.578 . . . . 83.69 111.418 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -91.65 158.18 16.55 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.604 1.162 . . . . 36.52 109.516 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.5 p -58.8 -31.83 68.79 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 114.114 1.153 . . . . 51.98 114.114 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.945 ' CG ' HH21 ' A' ' 61' ' ' ARG . 54.4 p30 -78.26 0.8 23.83 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 112.631 0.604 . . . . 36.08 112.631 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.25 -10.8 72.9 Favored Glycine 0 C--N 1.376 2.787 0 CA-C-N 119.975 1.261 . . . . 24.8 114.111 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.8 p -75.95 172.51 12.61 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.394 -0.965 . . . . 19.59 108.394 171.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.7 m -134.16 146.34 50.1 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.379 -1.341 . . . . 19.96 107.379 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' ' 59' ' ' ASN . 96.0 m-20 -102.2 140.08 36.96 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.598 -1.183 . . . . 36.86 109.835 173.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -129.91 133.11 46.64 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 125.091 1.495 . . . . 21.27 112.28 -170.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.13 -168.64 43.02 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 114.743 -1.117 . . . . 16.32 115.692 163.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 tp -55.37 -30.01 24.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 111.829 -2.185 . . . . 32.61 113.29 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.7 mt -119.55 17.36 12.88 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.582 1.953 . . . . 21.63 112.605 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 49.28 49.64 19.37 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 123.861 1.791 . . . . 18.79 112.917 167.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.76 114.54 7.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 CA-C-N 113.222 -1.808 . . . . 25.56 109.279 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 24.4 t-20 -74.94 145.59 42.46 Favored 'General case' 0 C--N 1.347 0.489 1 O-C-N 112.766 -6.209 . . . . 35.46 112.773 -175.716 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -81.65 -2.85 51.8 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.221 -1.808 . . . . 24.42 115.77 -175.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.945 HH21 ' CG ' ' A' ' 48' ' ' ASP . 58.1 ttm-85 -76.48 -62.09 1.74 Allowed 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.338 -1.476 . . . . 82.24 109.143 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 43.7 m0 -85.18 -31.0 23.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.731 1.382 . . . . 105.92 114.731 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.501 ' CD2' HG12 ' A' ' 98' ' ' ILE . 78.1 m95 -105.37 -33.91 8.01 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 117.376 2.361 . . . . 23.93 117.376 -155.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.02 162.04 37.22 Favored 'General case' 1 C--N 1.491 6.724 3 O-C-N 111.297 -7.127 . . . . 20.69 108.542 -174.681 62.491 81.61 96.456 103.239 2.042 104.375 -60.631 -61.74 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -101.15 125.73 47.8 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 119.277 -0.969 . . . . 31.68 111.194 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -118.53 2.46 11.78 Favored 'General case' 0 C--N 1.362 1.144 0 CA-C-N 114.152 -1.386 . . . . 22.8 111.726 172.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.97 1.56 41.01 Favored Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 117.074 1.59 . . . . 32.32 117.074 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 168' ' ' HOH . 27.0 ptt180 -126.47 14.73 7.66 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 115.243 1.571 . . . . 32.38 115.243 -179.424 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.1 m -118.83 79.66 17.06 Favored Pre-proline 0 C--O 1.242 0.684 0 CA-C-N 120.229 1.377 . . . . 28.23 111.575 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.395 0.0 OUTLIER -51.46 133.09 42.41 Favored 'Trans proline' 0 CA--C 1.505 -0.927 0 O-C-N 124.634 1.86 . . . . 57.6 114.751 -174.262 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.19 -6.59 81.26 Favored Glycine 0 CA--C 1.471 -2.689 0 N-CA-C 119.078 2.391 . . . . 59.96 119.078 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . 0.834 ' HB2' ' HA ' ' A' ' 61' ' ' ARG . 52.2 p -83.91 170.41 14.06 Favored 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 126.91 2.182 . . . . 56.43 113.889 -175.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ARG . 12.3 mmm-85 -110.33 173.89 6.12 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 112.079 -2.328 . . . . 98.61 106.912 178.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -141.83 65.94 1.36 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 112.94 -1.937 . . . . 25.68 107.772 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 146' ' ' HOH . 48.9 mt -71.39 -12.59 61.5 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 115.239 1.57 . . . . 36.08 115.239 -170.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.09 -2.29 43.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 123.008 2.64 . . . . 21.62 112.659 175.367 -67.589 173.648 79.945 103.533 2.037 103.678 58.395 -173.447 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.6 t30 45.44 67.27 0.75 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 124.42 2.057 . . . . 114.82 112.053 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.509 ' CD1' HD21 ' A' ' 83' ' ' LEU . 8.6 pt -159.84 157.0 25.36 Favored Pre-proline 0 C--O 1.251 1.171 0 CA-C-N 112.694 -2.048 . . . . 36.62 108.762 176.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -71.92 141.04 36.11 Favored 'Trans proline' 0 C--O 1.253 1.23 0 O-C-N 124.932 2.017 . . . . 21.84 108.464 171.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.4 m -58.54 -32.86 69.27 Favored 'General case' 0 CA--C 1.511 -0.549 0 O-C-N 120.194 -1.567 . . . . 18.51 112.82 176.548 -61.74 -60.631 96.456 104.375 2.042 103.239 81.61 62.491 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -61.05 -27.75 68.56 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 118.54 -1.264 . . . . 24.5 110.935 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -15.71 61.21 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 119.988 -1.695 . . . . 26.37 113.81 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 78' ' ' ILE . 74.0 mt -84.45 1.07 47.17 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 119.755 -1.841 . . . . 27.67 111.725 176.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.3 mt -105.24 -2.5 24.02 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 119.84 -1.788 . . . . 26.05 112.464 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 p -59.82 151.23 26.06 Favored 'General case' 0 CA--C 1.49 -1.335 0 C-N-CA 124.565 1.146 . . . . 30.4 112.55 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.0 m -60.69 -30.12 69.74 Favored 'General case' 0 N--CA 1.409 -2.511 0 O-C-N 118.315 -2.741 . . . . 65.3 112.909 169.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.93 127.48 36.41 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 104.922 -2.251 . . . . 65.1 104.922 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.2 pt -89.4 10.29 2.33 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 N-CA-C 114.097 1.147 . . . . 24.22 114.097 -172.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.4 m -49.97 -51.83 38.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.936 1.35 . . . . 28.01 112.68 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.9 -40.59 91.67 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 120.363 -1.461 . . . . 22.34 111.666 -174.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.8 m -61.99 -42.15 98.83 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.018 -1.073 . . . . 19.57 111.606 176.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.22 -43.16 95.42 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 C-N-CA 118.275 -1.37 . . . . 27.93 111.897 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.8 -41.7 87.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 122.646 1.213 . . . . 38.71 111.104 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.4 -42.23 68.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.347 -0.845 . . . . 22.34 111.261 -179.1 -173.447 58.395 79.945 103.678 2.037 103.533 173.648 -67.589 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.36 72.09 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 112.498 0.555 . . . . 16.83 112.498 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.81 -42.0 96.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 119.36 -0.936 . . . . 27.36 109.522 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 146' ' ' HOH . 77.8 tttt -63.07 -45.5 91.86 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.944 -1.097 . . . . 141.23 111.867 175.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.501 HG12 ' CD2' ' A' ' 63' ' ' TRP . 95.1 mt -59.82 -47.95 89.5 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 O-C-N 121.135 -0.978 . . . . 21.1 110.688 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.01 -11.46 14.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 118.624 -0.703 . . . . 25.13 111.367 -173.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -90.12 -4.73 57.14 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 113.238 0.829 . . . . 35.98 113.238 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.78 -12.88 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 115.654 -2.117 . . . . 57.46 113.043 -166.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.53 -29.93 2.55 Favored Glycine 0 C--O 1.257 1.564 0 O-C-N 125.094 1.496 . . . . 51.68 114.954 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -108.86 13.92 24.56 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-N 118.116 0.958 . . . . 57.88 112.319 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 58.76 -142.29 46.04 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 120.026 -1.083 . . . . 23.24 111.086 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 73.0 mtp -75.8 -5.73 47.28 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 121.554 -0.968 . . . . 18.38 113.298 -176.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.911 ' HB3' ' NH1' ' A' ' 112' ' ' ARG . 70.6 m-80 -61.12 -18.21 56.79 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 120.567 -1.333 . . . . 21.47 110.746 175.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.11 -30.46 59.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 119.431 1.014 . . . . 25.21 111.894 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.3 m-90 -91.32 115.9 28.4 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-O 123.464 1.602 . . . . 18.53 110.221 175.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.46 -36.23 70.52 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 111.428 -2.624 . . . . 53.58 109.429 -173.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.31 80.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 O-C-N 119.658 -1.901 . . . . 21.99 108.461 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -64.45 -47.92 77.25 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 117.945 -1.502 . . . . 20.6 110.58 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.911 ' NH1' ' HB3' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -60.1 -46.42 89.65 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 119.309 -0.956 . . . . 81.23 109.612 -178.785 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.03 -21.09 43.92 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 117.002 -1.475 . . . . 22.08 114.838 -173.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -126.54 -19.9 4.48 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 119.678 1.126 . . . . 25.46 113.789 -170.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 65.3 m -112.85 -45.1 3.23 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 120.096 1.317 . . . . 20.26 114.338 -176.053 -57.617 -78.695 -93.72 102.047 2.05 103.017 -88.499 -174.024 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -53.14 128.04 26.35 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.229 -0.896 . . . . 22.64 108.593 -173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.15 -12.11 61.11 Favored Glycine 0 C--O 1.228 -0.273 0 CA-C-O 116.455 -2.303 . . . . 36.09 114.355 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.6 p -89.88 175.09 7.34 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 120.174 1.987 . . . . 34.48 109.686 -175.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -78.99 75.33 5.5 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-O 122.209 1.004 . . . . 55.99 110.783 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.4 m -68.76 -19.78 24.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 114.011 -1.45 . . . . 25.43 113.071 -172.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -61.73 -23.64 66.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.063 -0.655 . . . . 90.67 112.03 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.92 -30.32 58.25 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 119.325 -0.95 . . . . 23.55 112.491 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -69.69 -15.28 63.14 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 114.121 1.156 . . . . 29.14 114.121 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 39.8 pt -108.83 10.99 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 CA-C-N 119.26 0.936 . . . . 48.6 111.823 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.41 136.43 57.45 Favored 'General case' 0 CA--C 1.492 -1.277 0 O-C-N 121.629 -0.669 . . . . 78.1 111.223 177.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 84.46 -17.83 27.42 Favored Glycine 0 CA--C 1.479 -2.211 0 C-N-CA 117.768 -2.158 . . . . 39.8 116.129 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 61.8 m -77.35 137.68 38.89 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-O 115.3 -2.286 . . . . 25.96 112.558 -173.912 -56.488 -45.899 -80.306 106.687 1.995 104.617 -55.74 -68.227 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.384 23.5 mtp85 -95.01 103.41 15.26 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 128.298 3.499 . . . . 68.7 105.316 173.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.333 24.1 mt . . . . . 0 C--N 1.355 0.841 1 CA-C-N 106.666 -4.788 . . . . 78.75 109.64 -169.576 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . 0.538 ' O ' ' HD3' ' A' ' 97' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.402 ' O ' ' HG3' ' A' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_