data_1hgv_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 1hgv _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' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 108.195 -1.039 . . . . 77.77 108.195 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 51.8 -128.49 2.37 Favored 'General case' 0 CA--C 1.625 3.86 0 C-N-CA 127.063 2.145 . . . . 79.13 115.183 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 1.4 m-30 -93.89 52.01 1.6 Allowed 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 127.519 2.328 . . . . 77.24 112.379 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . 0.822 ' H ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 t30 -124.58 -31.83 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.597 0 O-C-N 121.63 -0.669 . . . . 82.97 112.339 -174.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . 0.822 ' HD3' ' H ' ' A' ' 4' ' ' ASN . 1.6 Cg_endo -76.23 6.36 3.97 Favored 'Trans proline' 0 CA--C 1.6 3.778 0 C-N-CA 122.657 2.238 . . . . 85.7 111.109 176.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 38.9 m -75.19 -28.76 60.13 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 126.182 1.793 . . . . 86.18 110.861 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.0 mt-10 -66.51 -35.6 80.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.546 1.154 . . . . 88.42 111.362 -179.437 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 17.1 t -61.25 -34.9 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.792 0 N-CA-C 105.252 -2.129 . . . . 100.0 105.252 176.721 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 6' ' ' SER . . . -72.12 -50.11 30.6 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-N 112.678 -2.056 . . . . 91.19 110.495 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.7 m -76.0 -50.36 15.06 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 114.063 1.134 . . . . 100.0 114.063 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . 0.576 ' O ' ' HD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -59.4 -49.54 77.42 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 114.346 1.239 . . . . 84.69 114.346 -177.542 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . 0.677 ' O ' ' HB2' ' A' ' 15' ' ' TYR . 30.3 t -76.08 -48.12 29.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 116.937 2.199 . . . . 83.2 116.937 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 m -53.05 -50.79 63.59 Favored 'General case' 0 CA--C 1.478 -1.822 0 C-N-CA 119.146 -1.021 . . . . 100.0 109.954 -171.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . 0.508 ' HA ' ' HG3' ' A' ' 17' ' ' GLN 0.294 3.0 m120 -54.73 -25.88 30.45 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 125.288 1.617 . . . . 74.75 113.391 176.272 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . 0.687 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -52.95 -44.23 66.94 Favored 'General case' 0 C--O 1.27 2.144 0 CA-C-N 119.65 1.114 . . . . 79.06 112.074 -175.271 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . 0.993 ' HA ' ' HB ' ' A' ' 19' ' ' ILE . 4.8 mm -74.49 -27.5 21.26 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.55 0 N-CA-C 118.035 2.606 . . . . 84.06 118.035 176.335 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HG3' ' HA ' ' A' ' 14' ' ' ASN . 18.4 mt-30 -52.58 -47.57 66.78 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 119.736 1.153 . . . . 89.76 113.784 -169.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . -75.72 -27.72 58.28 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 107.754 -1.202 . . . . 81.39 107.754 174.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . 0.993 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 5.2 mt -70.05 -36.39 68.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.809 0 CA-C-O 116.116 -1.897 . . . . 92.67 114.286 -174.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.2 19.99 Favored 'General case' 0 N--CA 1.526 3.372 0 O-C-N 124.875 1.359 . . . . 100.0 111.969 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -28.95 51.2 Favored 'General case' 0 N--CA 1.403 -2.792 0 N-CA-C 106.629 -1.619 . . . . 83.47 106.629 173.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 18' ' ' ALA . . . -75.26 -28.81 59.97 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.082 -1.872 . . . . 84.01 110.01 179.004 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.62 ' O ' ' HB ' ' A' ' 26' ' ' VAL . . . -76.02 -49.42 8.65 Favored Glycine 0 N--CA 1.41 -3.085 0 C-N-CA 118.714 -1.708 . . . . 82.58 109.903 -178.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' GLY . 20.5 t -58.81 -33.21 48.72 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.383 0 CA-C-N 113.646 -1.277 . . . . 70.63 113.214 -178.085 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . 0.518 ' O ' HD13 ' A' ' 29' ' ' LEU . . . -53.4 -27.31 32.71 Favored Glycine 0 C--N 1.278 -2.665 0 C-N-CA 118.194 -1.955 . . . . 83.29 108.838 177.127 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 86.2 t -75.64 -36.61 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 C-N-CA 124.587 1.155 . . . . 82.74 114.117 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . 0.965 HD11 HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -75.66 -28.63 58.81 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 120.826 -1.171 . . . . 63.82 112.374 176.668 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 27' ' ' LEU . . . -53.69 -44.71 69.97 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 103.148 -2.908 . . . . 83.08 103.148 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . 0.64 ' O ' HD11 ' A' ' 33' ' ' LEU . 1.6 mt -76.2 -28.86 57.41 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 113.126 -1.852 . . . . 84.35 111.898 177.858 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . 0.919 ' HB1' ' HA ' ' A' ' 27' ' ' LEU . . . -75.85 -29.32 58.53 Favored 'General case' 0 C--O 1.194 -1.837 0 O-C-N 119.594 -1.941 . . . . 93.66 113.791 179.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . 0.965 HD12 HD11 ' A' ' 27' ' ' LEU . 3.5 mm -75.37 -40.16 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 C-N-CA 124.619 1.168 . . . . 80.61 112.372 -177.22 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . 0.906 ' HA3' ' CB ' ' A' ' 35' ' ' ALA . . . -75.03 -36.57 46.06 Favored Glycine 0 N--CA 1.416 -2.686 0 CA-C-N 112.556 -2.111 . . . . 83.49 111.949 -177.544 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD11 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -54.56 -49.58 70.01 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.979 1.047 . . . . 87.47 112.458 -178.262 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . 0.63 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 12.6 m -70.46 -33.22 71.03 Favored 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 103.769 -2.678 . . . . 92.18 103.769 171.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . 1.078 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . . . -55.34 -28.53 54.39 Favored 'General case' 1 N--CA 1.372 -4.334 0 CA-C-N 112.453 -2.158 . . . . 97.89 108.495 178.738 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . 0.864 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . -66.74 -49.43 66.02 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.805 1.409 . . . . 93.96 114.805 -176.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m0 -75.16 -28.13 59.99 Favored 'General case' 0 C--O 1.19 -2.053 0 O-C-N 119.849 -1.782 . . . . 93.26 107.231 176.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 1.078 ' HE2' ' HA ' ' A' ' 35' ' ' ALA 0.267 48.4 mtmt -54.57 -35.49 63.36 Favored 'General case' 0 C--O 1.168 -3.2 0 N-CA-C 101.711 -3.44 . . . . 74.86 101.711 177.279 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . 0.775 ' O ' ' HD1' ' A' ' 43' ' ' PHE . 12.9 m-30 -75.25 -39.94 59.36 Favored 'General case' 0 C--N 1.27 -2.849 0 N-CA-C 114.271 1.211 . . . . 91.24 114.271 -176.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.0 -49.32 58.87 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 120.145 -1.597 . . . . 90.33 110.095 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -67.98 -27.68 66.78 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.276 1.83 . . . . 86.79 112.454 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . 1.023 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -61.14 -33.9 74.15 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 123.699 1.714 . . . . 85.23 108.801 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . 0.775 ' HD1' ' O ' ' A' ' 39' ' ' TYR 0.265 43.2 m-85 -75.5 -27.4 58.78 Favored 'General case' 0 C--O 1.175 -2.82 0 CA-C-N 113.046 -1.888 . . . . 81.06 115.313 -179.562 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -63.87 -49.53 72.37 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 121.35 3.833 . . . . 83.97 121.35 -176.186 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.77 -48.75 69.44 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 117.056 2.243 . . . . 83.0 117.056 -168.022 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.277 2.8 0 CA-C-O 116.119 -2.49 . . . . 100.0 107.981 176.587 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 108.195 -1.039 . . . . 4.0 108.195 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 51.8 -128.49 2.37 Favored 'General case' 0 CA--C 1.625 3.86 0 C-N-CA 127.063 2.145 . . . . 58.08 115.183 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 1.4 m-30 -93.89 52.01 1.6 Allowed 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 127.519 2.328 . . . . 4.0 112.379 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . 0.804 ' H ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 t30 -124.58 -31.83 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.597 0 O-C-N 121.63 -0.669 . . . . 4.69 112.339 -174.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . 0.804 ' HD3' ' H ' ' A' ' 4' ' ' ASN . 1.6 Cg_endo -76.23 6.36 3.97 Favored 'Trans proline' 0 CA--C 1.6 3.778 0 C-N-CA 122.657 2.238 . . . . 5.7 111.109 176.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 0.827 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 38.9 m -75.19 -28.76 60.13 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 126.182 1.793 . . . . 6.19 110.861 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.0 mt-10 -66.51 -35.6 80.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.546 1.154 . . . . 14.52 111.362 -179.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -61.25 -34.9 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.792 0 N-CA-C 105.252 -2.129 . . . . 24.35 105.252 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 6' ' ' SER . . . -72.12 -50.11 30.6 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-N 112.678 -2.056 . . . . 23.8 110.495 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.7 m -76.0 -50.36 15.06 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 114.063 1.134 . . . . 37.23 114.063 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' ' HD1' ' A' ' 15' ' ' TYR . 5.5 mm-40 -59.4 -49.54 77.42 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 114.346 1.239 . . . . 12.57 114.346 -177.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 15' ' ' TYR . 30.3 t -76.08 -48.12 29.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 116.937 2.199 . . . . 4.0 116.937 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 m -53.05 -50.79 63.59 Favored 'General case' 0 CA--C 1.478 -1.822 0 C-N-CA 119.146 -1.021 . . . . 31.64 109.954 -171.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.294 3.0 m120 -54.73 -25.88 30.45 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 125.288 1.617 . . . . 11.26 113.391 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -52.95 -44.23 66.94 Favored 'General case' 0 C--O 1.27 2.144 0 CA-C-N 119.65 1.114 . . . . 24.27 112.074 -175.271 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.767 ' HA ' ' HB ' ' A' ' 19' ' ' ILE . 4.8 mm -74.49 -27.5 21.26 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.55 0 N-CA-C 118.035 2.606 . . . . 58.98 118.035 176.335 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -52.58 -47.57 66.78 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 119.736 1.153 . . . . 9.76 113.784 -169.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -27.72 58.28 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 107.754 -1.202 . . . . 5.16 107.754 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.767 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 5.2 mt -70.05 -36.39 68.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.809 0 CA-C-O 116.116 -1.897 . . . . 12.67 114.286 -174.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.2 19.99 Favored 'General case' 0 N--CA 1.526 3.372 0 O-C-N 124.875 1.359 . . . . 31.78 111.969 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -28.95 51.2 Favored 'General case' 0 N--CA 1.403 -2.792 0 N-CA-C 106.629 -1.619 . . . . 4.0 106.629 173.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -75.26 -28.81 59.97 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.082 -1.872 . . . . 15.68 110.01 179.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' HB ' ' A' ' 26' ' ' VAL . . . -76.02 -49.42 8.65 Favored Glycine 0 N--CA 1.41 -3.085 0 C-N-CA 118.714 -1.708 . . . . 4.03 109.903 -178.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' GLY . 20.5 t -58.81 -33.21 48.72 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.383 0 CA-C-N 113.646 -1.277 . . . . 7.19 113.214 -178.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -53.4 -27.31 32.71 Favored Glycine 0 C--N 1.278 -2.665 0 C-N-CA 118.194 -1.955 . . . . 4.0 108.838 177.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 86.2 t -75.64 -36.61 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 C-N-CA 124.587 1.155 . . . . 4.0 114.117 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -75.66 -28.63 58.81 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 120.826 -1.171 . . . . 4.0 112.374 176.668 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 27' ' ' LEU . . . -53.69 -44.71 69.97 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 103.148 -2.908 . . . . 26.87 103.148 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.984 ' O ' HD13 ' A' ' 33' ' ' LEU . 1.6 mt -76.2 -28.86 57.41 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 113.126 -1.852 . . . . 10.07 111.898 177.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . 0.701 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -75.85 -29.32 58.53 Favored 'General case' 0 C--O 1.194 -1.837 0 O-C-N 119.594 -1.941 . . . . 13.66 113.791 179.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . 0.728 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.5 mm -75.37 -40.16 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 C-N-CA 124.619 1.168 . . . . 4.0 112.372 -177.22 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . 1.052 ' HA2' ' HB3' ' A' ' 35' ' ' ALA . . . -75.03 -36.57 46.06 Favored Glycine 0 N--CA 1.416 -2.686 0 CA-C-N 112.556 -2.111 . . . . 4.25 111.949 -177.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.984 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -54.56 -49.58 70.01 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.979 1.047 . . . . 22.39 112.458 -178.262 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.545 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 12.6 m -70.46 -33.22 71.03 Favored 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 103.769 -2.678 . . . . 12.18 103.769 171.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . 1.052 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . . . -55.34 -28.53 54.39 Favored 'General case' 1 N--CA 1.372 -4.334 0 CA-C-N 112.453 -2.158 . . . . 17.89 108.495 178.738 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . 0.864 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . -66.74 -49.43 66.02 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.805 1.409 . . . . 13.96 114.805 -176.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m0 -75.16 -28.13 59.99 Favored 'General case' 0 C--O 1.19 -2.053 0 O-C-N 119.849 -1.782 . . . . 13.26 107.231 176.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 1.012 ' HE2' ' HA ' ' A' ' 35' ' ' ALA 0.267 48.4 mtmt -54.57 -35.49 63.36 Favored 'General case' 0 C--O 1.168 -3.2 0 N-CA-C 101.711 -3.44 . . . . 4.0 101.711 177.279 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' O ' ' HD1' ' A' ' 43' ' ' PHE . 12.9 m-30 -75.25 -39.94 59.36 Favored 'General case' 0 C--N 1.27 -2.849 0 N-CA-C 114.271 1.211 . . . . 11.24 114.271 -176.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.0 -49.32 58.87 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 120.145 -1.597 . . . . 10.33 110.095 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -67.98 -27.68 66.78 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.276 1.83 . . . . 6.79 112.454 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.946 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -61.14 -33.9 74.15 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 123.699 1.714 . . . . 13.6 108.801 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . 0.672 ' HD1' ' O ' ' A' ' 39' ' ' TYR 0.265 43.2 m-85 -75.5 -27.4 58.78 Favored 'General case' 0 C--O 1.175 -2.82 0 CA-C-N 113.046 -1.888 . . . . 22.98 115.313 -179.562 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -63.87 -49.53 72.37 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 121.35 3.833 . . . . 20.02 121.35 -176.186 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.77 -48.75 69.44 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 117.056 2.243 . . . . 16.11 117.056 -168.022 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.277 2.8 0 CA-C-O 116.119 -2.49 . . . . 25.1 107.981 176.587 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 108.195 -1.039 . . . . 4.0 108.195 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 51.8 -128.49 2.37 Favored 'General case' 0 CA--C 1.625 3.86 0 C-N-CA 127.063 2.145 . . . . 58.08 115.183 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 1.4 m-30 -93.89 52.01 1.6 Allowed 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 127.519 2.328 . . . . 4.0 112.379 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.804 ' H ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 t30 -124.58 -31.83 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.597 0 O-C-N 121.63 -0.669 . . . . 4.69 112.339 -174.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.804 ' HD3' ' H ' ' A' ' 4' ' ' ASN . 1.6 Cg_endo -76.23 6.36 3.97 Favored 'Trans proline' 0 CA--C 1.6 3.778 0 C-N-CA 122.657 2.238 . . . . 5.7 111.109 176.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 0.827 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 38.9 m -75.19 -28.76 60.13 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 126.182 1.793 . . . . 6.19 110.861 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.0 mt-10 -66.51 -35.6 80.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.546 1.154 . . . . 14.52 111.362 -179.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -61.25 -34.9 62.65 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.792 0 N-CA-C 105.252 -2.129 . . . . 24.35 105.252 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 6' ' ' SER . . . -72.12 -50.11 30.6 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-N 112.678 -2.056 . . . . 23.8 110.495 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.7 m -76.0 -50.36 15.06 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 114.063 1.134 . . . . 37.23 114.063 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' O ' ' HD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -59.4 -49.54 77.42 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 114.346 1.239 . . . . 12.57 114.346 -177.542 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 15' ' ' TYR . 30.3 t -76.08 -48.12 29.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 116.937 2.199 . . . . 4.0 116.937 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 m -53.05 -50.79 63.59 Favored 'General case' 0 CA--C 1.478 -1.822 0 C-N-CA 119.146 -1.021 . . . . 31.64 109.954 -171.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.294 3.0 m120 -54.73 -25.88 30.45 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 125.288 1.617 . . . . 11.26 113.391 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -52.95 -44.23 66.94 Favored 'General case' 0 C--O 1.27 2.144 0 CA-C-N 119.65 1.114 . . . . 24.27 112.074 -175.271 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.767 ' HA ' ' HB ' ' A' ' 19' ' ' ILE . 4.8 mm -74.49 -27.5 21.26 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.55 0 N-CA-C 118.035 2.606 . . . . 58.98 118.035 176.335 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -52.58 -47.57 66.78 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 119.736 1.153 . . . . 9.76 113.784 -169.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.72 -27.72 58.28 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 107.754 -1.202 . . . . 5.16 107.754 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.767 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 5.2 mt -70.05 -36.39 68.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.809 0 CA-C-O 116.116 -1.897 . . . . 12.67 114.286 -174.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.2 19.99 Favored 'General case' 0 N--CA 1.526 3.372 0 O-C-N 124.875 1.359 . . . . 31.78 111.969 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -28.95 51.2 Favored 'General case' 0 N--CA 1.403 -2.792 0 N-CA-C 106.629 -1.619 . . . . 4.0 106.629 173.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -75.26 -28.81 59.97 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.082 -1.872 . . . . 15.68 110.01 179.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' HB ' ' A' ' 26' ' ' VAL . . . -76.02 -49.42 8.65 Favored Glycine 0 N--CA 1.41 -3.085 0 C-N-CA 118.714 -1.708 . . . . 4.03 109.903 -178.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' GLY . 20.5 t -58.81 -33.21 48.72 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.383 0 CA-C-N 113.646 -1.277 . . . . 7.19 113.214 -178.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -53.4 -27.31 32.71 Favored Glycine 0 C--N 1.278 -2.665 0 C-N-CA 118.194 -1.955 . . . . 4.0 108.838 177.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 86.2 t -75.64 -36.61 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 C-N-CA 124.587 1.155 . . . . 4.0 114.117 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -75.66 -28.63 58.81 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 120.826 -1.171 . . . . 4.0 112.374 176.668 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 27' ' ' LEU . . . -53.69 -44.71 69.97 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 103.148 -2.908 . . . . 26.87 103.148 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.984 ' O ' HD13 ' A' ' 33' ' ' LEU . 1.6 mt -76.2 -28.86 57.41 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 113.126 -1.852 . . . . 10.07 111.898 177.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.701 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -75.85 -29.32 58.53 Favored 'General case' 0 C--O 1.194 -1.837 0 O-C-N 119.594 -1.941 . . . . 13.66 113.791 179.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.728 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.5 mm -75.37 -40.16 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 C-N-CA 124.619 1.168 . . . . 4.0 112.372 -177.22 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . 1.052 ' HA2' ' HB3' ' A' ' 35' ' ' ALA . . . -75.03 -36.57 46.06 Favored Glycine 0 N--CA 1.416 -2.686 0 CA-C-N 112.556 -2.111 . . . . 4.25 111.949 -177.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.984 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -54.56 -49.58 70.01 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.979 1.047 . . . . 22.39 112.458 -178.262 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.545 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 12.6 m -70.46 -33.22 71.03 Favored 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 103.769 -2.678 . . . . 12.18 103.769 171.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.052 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . . . -55.34 -28.53 54.39 Favored 'General case' 1 N--CA 1.372 -4.334 0 CA-C-N 112.453 -2.158 . . . . 17.89 108.495 178.738 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.864 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . -66.74 -49.43 66.02 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.805 1.409 . . . . 13.96 114.805 -176.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m0 -75.16 -28.13 59.99 Favored 'General case' 0 C--O 1.19 -2.053 0 O-C-N 119.849 -1.782 . . . . 13.26 107.231 176.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.012 ' HE2' ' HA ' ' A' ' 35' ' ' ALA 0.267 48.4 mtmt -54.57 -35.49 63.36 Favored 'General case' 0 C--O 1.168 -3.2 0 N-CA-C 101.711 -3.44 . . . . 4.0 101.711 177.279 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' O ' ' HD1' ' A' ' 43' ' ' PHE . 12.9 m-30 -75.25 -39.94 59.36 Favored 'General case' 0 C--N 1.27 -2.849 0 N-CA-C 114.271 1.211 . . . . 11.24 114.271 -176.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.0 -49.32 58.87 Favored 'General case' 0 C--O 1.208 -1.079 0 O-C-N 120.145 -1.597 . . . . 10.33 110.095 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -67.98 -27.68 66.78 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.276 1.83 . . . . 6.79 112.454 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.946 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -61.14 -33.9 74.15 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 123.699 1.714 . . . . 13.6 108.801 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.672 ' HD1' ' O ' ' A' ' 39' ' ' TYR 0.265 43.2 m-85 -75.5 -27.4 58.78 Favored 'General case' 0 C--O 1.175 -2.82 0 CA-C-N 113.046 -1.888 . . . . 22.98 115.313 -179.562 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -63.87 -49.53 72.37 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 121.35 3.833 . . . . 20.02 121.35 -176.186 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -53.77 -48.75 69.44 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 117.056 2.243 . . . . 16.11 117.056 -168.022 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.277 2.8 0 CA-C-O 116.119 -2.49 . . . . 25.1 107.981 176.587 . . . . . . . . 0 0 . 1 stop_ save_