data_4wk3_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 4wk3 _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' ' ' SER . . . . . . . . . . . . 0.258 1.8 t . . . . . 0 CA--C 1.512 -0.494 0 N-CA-C 114.84 1.422 . . . . 104.54 114.84 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 1' ' ' MET 0.264 8.3 t-80 -172.69 -167.92 0.47 Allowed 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 126.607 1.963 . . . . 104.94 110.456 -150.947 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' N ' ' CG ' ' A' ' 0' ' ' HIS . 2.9 mmm -106.45 160.66 15.23 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 119.824 3.268 . . . . 115.7 119.824 -160.923 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -127.45 150.82 49.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.731 -1.122 . . . . 76.85 109.85 172.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 38.9 tpp -98.33 122.59 41.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 109.326 -0.62 . . . . 90.61 109.326 167.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.21 132.06 41.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.068 -1.086 . . . . 83.51 108.068 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.1 mt -122.67 124.43 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 N-CA-C 107.752 -1.203 . . . . 76.49 107.752 172.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.53 129.13 42.46 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.772 -1.103 . . . . 101.69 111.767 -170.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -109.11 124.63 65.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.526 -0.761 . . . . 98.71 109.313 169.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.97 169.38 16.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 112.676 0.621 . . . . 111.84 112.676 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -65.38 137.77 57.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.175 -0.92 . . . . 128.36 111.548 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 41' ' ' ASN . 12.2 m-20 -61.76 -27.12 68.51 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.876 0.695 . . . . 152.0 112.876 -177.309 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -80.75 -2.03 45.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 119.804 -0.758 . . . . 134.81 110.333 -176.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -110.75 -11.64 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 117.71 109.925 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -49.1 -50.9 34.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.614 -0.721 . . . . 145.67 112.116 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -53.84 -53.18 56.07 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.468 0.48 . . . . 151.37 111.513 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -78.26 -33.71 49.48 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.674 0.99 . . . . 137.17 113.674 -172.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.24 -52.58 63.17 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.576 -0.898 . . . . 122.39 108.576 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.98 61.34 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.385 -0.825 . . . . 120.8 111.903 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.32 -44.79 96.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 148.22 110.442 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.5 -13.82 56.04 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 117.703 -1.599 . . . . 173.88 113.134 -173.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.73 -51.35 59.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.546 1.165 . . . . 96.17 108.777 171.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -50.29 -44.74 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-N 113.319 -1.764 . . . . 105.7 111.092 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.04 -27.42 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.713 -0.795 . . . . 114.9 110.128 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . 0.523 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 68.4 m-80 -102.96 24.88 10.07 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 113.784 1.031 . . . . 96.95 113.784 179.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 55.93 43.26 27.67 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.364 1.065 . . . . 119.16 113.447 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -105.61 128.4 53.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.77 -0.65 . . . . 97.29 109.39 171.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -102.92 103.31 13.44 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.805 0.691 . . . . 146.95 110.838 -177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.35 155.53 29.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.226 0.536 . . . . 88.18 112.314 -172.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 m -115.75 132.57 56.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.176 0.513 . . . . 112.17 110.283 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -78.94 121.05 24.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.364 -0.976 . . . . 116.6 108.364 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 mt -105.22 -47.99 3.82 Favored 'General case' 0 C--O 1.221 -0.441 1 N-CA-C 121.867 4.025 . . . . 131.5 121.867 -176.329 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' THR . . . -159.85 140.54 12.15 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.838 -0.745 . . . . 121.65 112.33 -178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 33' ' ' THR . 1.9 t -123.09 176.6 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.498 0.925 . . . . 160.23 113.498 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 32' ' ' THR . 88.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 114.974 -1.012 . . . . 158.96 110.293 173.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . 0.516 ' N ' ' OD2' ' A' ' 10' ' ' ASP . 30.0 m-80 . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 113.174 0.805 . . . . 162.98 113.174 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.3 m -95.56 134.55 38.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.957 -1.019 . . . . 111.01 111.282 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.3 m -107.38 131.64 54.04 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 119.43 -0.908 . . . . 103.62 109.827 175.726 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.82 147.51 45.27 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.72 -1.956 . . . . 129.59 105.72 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -129.55 147.87 51.39 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 116.458 -2.097 . . . . 89.84 109.056 161.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.9 t -147.81 126.4 12.5 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 119.059 -1.056 . . . . 78.6 111.198 -175.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.97 124.26 6.36 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 108.582 -1.807 . . . . 90.81 108.582 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 t -131.71 146.97 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 N-CA-C 112.549 0.574 . . . . 91.28 112.549 -176.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.35 143.75 50.13 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.242 0.617 . . . . 112.27 110.57 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -41.46 -46.79 3.55 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 117.197 2.295 . . . . 97.44 117.197 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -49.33 -22.21 1.05 Allowed 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.399 2.279 . . . . 130.35 115.835 173.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' NH2' ' O ' ' A' ' 23' ' ' ASN . 39.4 mtp180 -125.83 10.4 7.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 119.088 -1.045 . . . . 95.71 111.619 -160.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.27 -50.45 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 124.031 0.832 . . . . 76.15 110.203 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.39 -35.57 65.45 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.478 -0.934 . . . . 113.56 108.478 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -64.48 -48.83 73.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 128.7 110.029 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.5 tt -76.08 -35.42 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.098 -0.641 . . . . 89.2 111.843 -173.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -49.59 -49.03 48.26 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.666 0.746 . . . . 102.91 109.99 168.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.053 -0.976 . . . . 100.26 111.454 -175.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.76 -46.9 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 108.288 -1.005 . . . . 106.91 108.288 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.55 -44.84 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 107.991 -1.114 . . . . 110.4 107.991 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -61.44 -50.94 70.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.646 0.98 . . . . 117.44 113.646 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.98 -37.93 81.06 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.734 0.642 . . . . 127.13 112.734 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.2 p -95.97 -13.56 23.73 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.567 0.951 . . . . 115.31 113.567 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.1 m -135.2 175.74 9.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.068 0.396 . . . . 116.44 112.068 -177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.48 177.43 8.15 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 119.684 -1.246 . . . . 117.49 111.431 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 N--CA 1.47 0.557 0 CA-C-N 116.776 0.288 . . . . 166.68 110.262 -176.622 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.459 0 N-CA-C 110.825 -0.91 . . . . 131.75 110.825 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.63 154.92 26.02 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 111.419 -0.672 . . . . 113.38 111.419 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -158.38 134.97 9.54 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.063 0.764 . . . . 107.6 113.063 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.4 m -127.86 128.72 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.5 -0.773 . . . . 104.79 110.321 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.28 130.97 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 113.997 1.11 . . . . 84.32 113.997 -169.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -114.13 128.82 56.55 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.507 -0.77 . . . . 108.97 111.991 173.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.5 t -103.87 114.88 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.807 -1.553 . . . . 69.87 106.807 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 91.1 mtp -119.1 144.01 35.17 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.487 0.921 . . . . 75.36 113.487 -176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.8 148.39 86.44 Favored 'Trans proline' 0 CA--C 1.504 -0.989 0 C-N-CA 122.923 2.415 . . . . 72.72 111.393 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -125.44 123.0 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 N-CA-C 107.666 -1.235 . . . . 72.65 107.666 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.75 -40.9 75.86 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.59 0.589 . . . . 86.54 112.59 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -158.06 153.62 26.25 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-O 121.98 0.895 . . . . 88.24 109.932 -170.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -138.85 130.88 28.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.008 -1.905 . . . . 114.02 107.189 -172.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -136.06 142.17 44.35 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.057 -1.057 . . . . 103.06 110.004 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.35 129.95 56.2 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 106.43 -1.693 . . . . 144.01 106.43 170.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 122.411 1.101 . . . . 134.7 109.949 177.072 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . 0.258 1.8 t . . . . . 0 CA--C 1.512 -0.494 0 N-CA-C 114.84 1.422 . . . . 104.54000000000001 114.84 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' HIS . . . . . 0.535 ' CG ' ' H ' ' A' ' 1' ' ' MET 0.264 8.3 t-80 -172.69 -167.92 0.47 Allowed 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 126.607 1.963 . . . . 104.94 110.456 -150.947 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' H ' ' CG ' ' A' ' 0' ' ' HIS . 2.9 mmm -106.45 160.66 15.23 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 119.824 3.268 . . . . 115.7 119.824 -160.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 1' ' ' MET . 45.6 mmtt -127.45 150.82 49.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.731 -1.122 . . . . 76.849999999999994 109.85 172.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 38.9 tpp -98.33 122.59 41.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 109.326 -0.62 . . . . 90.609999999999999 109.326 167.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . 0.452 HD13 ' HB ' ' A' ' 48' ' ' VAL . 1.7 mp -96.21 132.06 41.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.068 -1.086 . . . . 83.510000000000005 108.068 175.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.1 mt -122.67 124.43 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 N-CA-C 107.752 -1.203 . . . . 76.489999999999995 107.752 172.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.53 129.13 42.46 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.772 -1.103 . . . . 101.69 111.767 -170.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -109.11 124.63 65.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.526 -0.761 . . . . 98.709999999999994 109.313 169.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.97 169.38 16.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 112.676 0.621 . . . . 111.84 112.676 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -65.38 137.77 57.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.175 -0.92 . . . . 128.36000000000001 111.548 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 41' ' ' ASN . 12.2 m-20 -61.76 -27.12 68.51 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.876 0.695 . . . . 152.0 112.876 -177.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -80.75 -2.03 45.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 119.804 -0.758 . . . . 134.81 110.333 -176.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -110.75 -11.64 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 117.70999999999999 109.925 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -49.1 -50.9 34.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.614 -0.721 . . . . 145.66999999999999 112.116 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -53.84 -53.18 56.07 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.468 0.48 . . . . 151.37 111.513 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -78.26 -33.71 49.48 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.674 0.99 . . . . 137.16999999999999 113.674 -172.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.24 -52.58 63.17 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.576 -0.898 . . . . 122.39 108.576 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.98 61.34 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.385 -0.825 . . . . 120.8 111.903 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.32 -44.79 96.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 148.22 110.442 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.5 -13.82 56.04 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 117.703 -1.599 . . . . 173.88 113.134 -173.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.73 -51.35 59.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.546 1.165 . . . . 96.170000000000002 108.777 171.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -50.29 -44.74 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-N 113.319 -1.764 . . . . 105.7 111.092 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.04 -27.42 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.713 -0.795 . . . . 114.90000000000001 110.128 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -102.96 24.88 10.07 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 113.784 1.031 . . . . 96.950000000000003 113.784 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 55.93 43.26 27.67 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.364 1.065 . . . . 119.16 113.447 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -105.61 128.4 53.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.77 -0.65 . . . . 97.290000000000006 109.39 171.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -102.92 103.31 13.44 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.805 0.691 . . . . 146.94999999999999 110.838 -177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.35 155.53 29.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.226 0.536 . . . . 88.180000000000007 112.314 -172.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 m -115.75 132.57 56.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.176 0.513 . . . . 112.17 110.283 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -78.94 121.05 24.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.364 -0.976 . . . . 116.59999999999999 108.364 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.63 HD11 HD23 ' A' ' 45' ' ' LEU . 19.9 mt -105.22 -47.99 3.82 Favored 'General case' 0 C--O 1.221 -0.441 1 N-CA-C 121.867 4.025 . . . . 131.5 121.867 -176.329 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 42' ' ' THR . . . -159.85 140.54 12.15 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.838 -0.745 . . . . 121.65000000000001 112.33 -178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 33' ' ' THR . 1.9 t -123.09 176.6 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.498 0.925 . . . . 160.22999999999999 113.498 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 32' ' ' THR . 88.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 114.974 -1.012 . . . . 158.96000000000001 110.293 173.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . 0.516 ' N ' ' OD2' ' A' ' 10' ' ' ASP . 30.0 m-80 . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 113.174 0.805 . . . . 162.97999999999999 113.174 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' ALA . 40.3 m -95.56 134.55 38.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.957 -1.019 . . . . 111.01000000000001 111.282 -176.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -107.38 131.64 54.04 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 119.43 -0.908 . . . . 103.62 109.827 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.82 147.51 45.27 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.72 -1.956 . . . . 129.59 105.72 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . 0.63 HD23 HD11 ' A' ' 30' ' ' LEU . 3.4 pp -129.55 147.87 51.39 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 116.458 -2.097 . . . . 89.840000000000003 109.056 161.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.9 t -147.81 126.4 12.5 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 119.059 -1.056 . . . . 78.599999999999994 111.198 -175.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.97 124.26 6.36 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 108.582 -1.807 . . . . 90.810000000000002 108.582 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' HB ' HD13 ' A' ' 4' ' ' ILE . 4.0 t -131.71 146.97 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 N-CA-C 112.549 0.574 . . . . 91.280000000000001 112.549 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.35 143.75 50.13 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.242 0.617 . . . . 112.27 110.57 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -41.46 -46.79 3.55 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 117.197 2.295 . . . . 97.439999999999998 117.197 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -49.33 -22.21 1.05 Allowed 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.399 2.279 . . . . 130.34999999999999 115.835 173.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -125.83 10.4 7.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 119.088 -1.045 . . . . 95.709999999999994 111.619 -160.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.27 -50.45 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 124.031 0.832 . . . . 76.150000000000006 110.203 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.39 -35.57 65.45 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.478 -0.934 . . . . 113.56 108.478 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -64.48 -48.83 73.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 128.69999999999999 110.029 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.5 tt -76.08 -35.42 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.098 -0.641 . . . . 89.200000000000003 111.843 -173.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -49.59 -49.03 48.26 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.666 0.746 . . . . 102.91 109.99 168.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.053 -0.976 . . . . 100.26000000000001 111.454 -175.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.76 -46.9 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 108.288 -1.005 . . . . 106.91 108.288 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.55 -44.84 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 107.991 -1.114 . . . . 110.40000000000001 107.991 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -61.44 -50.94 70.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.646 0.98 . . . . 117.44 113.646 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.98 -37.93 81.06 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.734 0.642 . . . . 127.13 112.734 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.2 p -95.97 -13.56 23.73 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.567 0.951 . . . . 115.31 113.567 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.1 m -135.2 175.74 9.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.068 0.396 . . . . 116.44 112.068 -177.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . 0.433 ' HA2' ' CA ' ' A' ' 95' ' ' GLY . . . 66.48 177.43 8.15 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 119.684 -1.246 . . . . 117.48999999999999 111.431 -175.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 N--CA 1.47 0.557 0 CA-C-N 116.776 0.288 . . . . 166.68000000000001 110.262 -176.622 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.459 0 N-CA-C 110.825 -0.91 . . . . 131.75 110.825 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLY . . . . . 0.433 ' CA ' ' HA2' ' A' ' 65' ' ' GLY . . . -149.63 154.92 26.02 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 111.419 -0.672 . . . . 113.38 111.419 -178.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -158.38 134.97 9.54 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.063 0.764 . . . . 107.59999999999999 113.063 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.4 m -127.86 128.72 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.5 -0.773 . . . . 104.79000000000001 110.321 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.28 130.97 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 113.997 1.11 . . . . 84.319999999999993 113.997 -169.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -114.13 128.82 56.55 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.507 -0.77 . . . . 108.97 111.991 173.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.5 t -103.87 114.88 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.807 -1.553 . . . . 69.870000000000005 106.807 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 91.1 mtp -119.1 144.01 35.17 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.487 0.921 . . . . 75.359999999999999 113.487 -176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.8 148.39 86.44 Favored 'Trans proline' 0 CA--C 1.504 -0.989 0 C-N-CA 122.923 2.415 . . . . 72.719999999999999 111.393 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -125.44 123.0 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 N-CA-C 107.666 -1.235 . . . . 72.650000000000006 107.666 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.75 -40.9 75.86 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.59 0.589 . . . . 86.540000000000006 112.59 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -158.06 153.62 26.25 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-O 121.98 0.895 . . . . 88.239999999999995 109.932 -170.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -138.85 130.88 28.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.008 -1.905 . . . . 114.02 107.189 -172.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -136.06 142.17 44.35 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.057 -1.057 . . . . 103.06 110.004 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.35 129.95 56.2 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 106.43 -1.693 . . . . 144.00999999999999 106.43 170.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 122.411 1.101 . . . . 134.69999999999999 109.949 177.072 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . 0.258 1.8 t . . . . . 0 CA--C 1.512 -0.494 0 N-CA-C 114.84 1.422 . . . . 104.54000000000001 114.84 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.535 ' CG ' ' H ' ' A' ' 1' ' ' MET 0.264 8.3 t-80 -172.69 -167.92 0.47 Allowed 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 126.607 1.963 . . . . 104.94 110.456 -150.947 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' H ' ' CG ' ' A' ' 0' ' ' HIS . 2.9 mmm -106.45 160.66 15.23 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 119.824 3.268 . . . . 115.7 119.824 -160.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 1' ' ' MET . 45.6 mmtt -127.45 150.82 49.48 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.731 -1.122 . . . . 76.849999999999994 109.85 172.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 38.9 tpp -98.33 122.59 41.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 109.326 -0.62 . . . . 90.609999999999999 109.326 167.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.452 HD13 ' HB ' ' A' ' 48' ' ' VAL . 1.7 mp -96.21 132.06 41.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.068 -1.086 . . . . 83.510000000000005 108.068 175.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.1 mt -122.67 124.43 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 N-CA-C 107.752 -1.203 . . . . 76.489999999999995 107.752 172.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.53 129.13 42.46 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 114.772 -1.103 . . . . 101.69 111.767 -170.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -109.11 124.63 65.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.526 -0.761 . . . . 98.709999999999994 109.313 169.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.97 169.38 16.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 112.676 0.621 . . . . 111.84 112.676 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -65.38 137.77 57.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.175 -0.92 . . . . 128.36000000000001 111.548 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 41' ' ' ASN . 12.2 m-20 -61.76 -27.12 68.51 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.876 0.695 . . . . 152.0 112.876 -177.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -80.75 -2.03 45.27 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 119.804 -0.758 . . . . 134.81 110.333 -176.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -110.75 -11.64 14.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 117.70999999999999 109.925 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -49.1 -50.9 34.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.614 -0.721 . . . . 145.66999999999999 112.116 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -53.84 -53.18 56.07 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.468 0.48 . . . . 151.37 111.513 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -78.26 -33.71 49.48 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.674 0.99 . . . . 137.16999999999999 113.674 -172.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.24 -52.58 63.17 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.576 -0.898 . . . . 122.39 108.576 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.98 61.34 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.385 -0.825 . . . . 120.8 111.903 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.32 -44.79 96.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 148.22 110.442 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.5 -13.82 56.04 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 117.703 -1.599 . . . . 173.88 113.134 -173.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.73 -51.35 59.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.546 1.165 . . . . 96.170000000000002 108.777 171.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -50.29 -44.74 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-N 113.319 -1.764 . . . . 105.7 111.092 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.04 -27.42 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.713 -0.795 . . . . 114.90000000000001 110.128 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -102.96 24.88 10.07 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 113.784 1.031 . . . . 96.950000000000003 113.784 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 55.93 43.26 27.67 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.364 1.065 . . . . 119.16 113.447 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -105.61 128.4 53.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.77 -0.65 . . . . 97.290000000000006 109.39 171.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -102.92 103.31 13.44 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.805 0.691 . . . . 146.94999999999999 110.838 -177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.35 155.53 29.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.226 0.536 . . . . 88.180000000000007 112.314 -172.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 m -115.75 132.57 56.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.176 0.513 . . . . 112.17 110.283 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -78.94 121.05 24.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 108.364 -0.976 . . . . 116.59999999999999 108.364 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.63 HD11 HD23 ' A' ' 45' ' ' LEU . 19.9 mt -105.22 -47.99 3.82 Favored 'General case' 0 C--O 1.221 -0.441 1 N-CA-C 121.867 4.025 . . . . 131.5 121.867 -176.329 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 42' ' ' THR . . . -159.85 140.54 12.15 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.838 -0.745 . . . . 121.65000000000001 112.33 -178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 33' ' ' THR . 1.9 t -123.09 176.6 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.498 0.925 . . . . 160.22999999999999 113.498 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . 0.553 ' N ' ' OG1' ' A' ' 32' ' ' THR . 88.3 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 114.974 -1.012 . . . . 158.96000000000001 110.293 173.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.516 ' N ' ' OD2' ' A' ' 10' ' ' ASP . 30.0 m-80 . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 113.174 0.805 . . . . 162.97999999999999 113.174 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' ALA . 40.3 m -95.56 134.55 38.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.957 -1.019 . . . . 111.01000000000001 111.282 -176.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -107.38 131.64 54.04 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 119.43 -0.908 . . . . 103.62 109.827 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.82 147.51 45.27 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.72 -1.956 . . . . 129.59 105.72 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.63 HD23 HD11 ' A' ' 30' ' ' LEU . 3.4 pp -129.55 147.87 51.39 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 116.458 -2.097 . . . . 89.840000000000003 109.056 161.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.9 t -147.81 126.4 12.5 Favored 'General case' 0 N--CA 1.432 -1.339 0 C-N-CA 119.059 -1.056 . . . . 78.599999999999994 111.198 -175.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.97 124.26 6.36 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 108.582 -1.807 . . . . 90.810000000000002 108.582 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' HB ' HD13 ' A' ' 4' ' ' ILE . 4.0 t -131.71 146.97 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 N-CA-C 112.549 0.574 . . . . 91.280000000000001 112.549 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.35 143.75 50.13 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.242 0.617 . . . . 112.27 110.57 173.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -41.46 -46.79 3.55 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 117.197 2.295 . . . . 97.439999999999998 117.197 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -49.33 -22.21 1.05 Allowed 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.399 2.279 . . . . 130.34999999999999 115.835 173.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -125.83 10.4 7.68 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 119.088 -1.045 . . . . 95.709999999999994 111.619 -160.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.2 t -66.27 -50.45 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 O-C-N 124.031 0.832 . . . . 76.150000000000006 110.203 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.39 -35.57 65.45 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.478 -0.934 . . . . 113.56 108.478 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -64.48 -48.83 73.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 128.69999999999999 110.029 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.5 tt -76.08 -35.42 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.098 -0.641 . . . . 89.200000000000003 111.843 -173.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -49.59 -49.03 48.26 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.666 0.746 . . . . 102.91 109.99 168.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.053 -0.976 . . . . 100.26000000000001 111.454 -175.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.76 -46.9 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 108.288 -1.005 . . . . 106.91 108.288 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.55 -44.84 81.7 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 107.991 -1.114 . . . . 110.40000000000001 107.991 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -61.44 -50.94 70.77 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.646 0.98 . . . . 117.44 113.646 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.98 -37.93 81.06 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.734 0.642 . . . . 127.13 112.734 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.2 p -95.97 -13.56 23.73 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.567 0.951 . . . . 115.31 113.567 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.1 m -135.2 175.74 9.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.068 0.396 . . . . 116.44 112.068 -177.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.433 ' HA2' ' CA ' ' A' ' 95' ' ' GLY . . . 66.48 177.43 8.15 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 119.684 -1.246 . . . . 117.48999999999999 111.431 -175.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 N--CA 1.47 0.557 0 CA-C-N 116.776 0.288 . . . . 166.68000000000001 110.262 -176.622 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.459 0 N-CA-C 110.825 -0.91 . . . . 131.75 110.825 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.433 ' CA ' ' HA2' ' A' ' 65' ' ' GLY . . . -149.63 154.92 26.02 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 111.419 -0.672 . . . . 113.38 111.419 -178.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -158.38 134.97 9.54 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.063 0.764 . . . . 107.59999999999999 113.063 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.4 m -127.86 128.72 45.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.5 -0.773 . . . . 104.79000000000001 110.321 175.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.28 130.97 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 113.997 1.11 . . . . 84.319999999999993 113.997 -169.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -114.13 128.82 56.55 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.507 -0.77 . . . . 108.97 111.991 173.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.5 t -103.87 114.88 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.807 -1.553 . . . . 69.870000000000005 106.807 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 91.1 mtp -119.1 144.01 35.17 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 113.487 0.921 . . . . 75.359999999999999 113.487 -176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.8 148.39 86.44 Favored 'Trans proline' 0 CA--C 1.504 -0.989 0 C-N-CA 122.923 2.415 . . . . 72.719999999999999 111.393 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.1 t -125.44 123.0 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 N-CA-C 107.666 -1.235 . . . . 72.650000000000006 107.666 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.75 -40.9 75.86 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.59 0.589 . . . . 86.540000000000006 112.59 173.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -158.06 153.62 26.25 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-O 121.98 0.895 . . . . 88.239999999999995 109.932 -170.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -138.85 130.88 28.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.008 -1.905 . . . . 114.02 107.189 -172.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -136.06 142.17 44.35 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.057 -1.057 . . . . 103.06 110.004 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.35 129.95 56.2 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 106.43 -1.693 . . . . 144.00999999999999 106.43 170.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 122.411 1.101 . . . . 134.69999999999999 109.949 177.072 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_