data_1fhi_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 1fhi _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 ' 2' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 10' ' ' ILE . 70.6 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.197 0.046 . . . . 73.55 111.004 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 80.16 104.25 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.099 1.518 . . . . 42.96 115.099 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -87.93 152.09 22.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.568 -0.742 . . . . 86.67 109.625 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -161.62 81.93 0.59 Allowed 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.439 -1.319 . . . . 17.49 107.439 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.2 -144.19 31.7 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 108.152 -1.979 . . . . 15.57 108.152 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.87 -18.03 65.18 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.359 1.244 . . . . 72.75 114.359 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -122.09 156.59 33.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 116.154 1.909 . . . . 18.07 116.154 -178.715 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.53 154.94 21.42 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.341 -1.3 . . . . 19.15 110.1 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' SER . 3.7 mm -116.82 135.63 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 N-CA-C 103.617 -2.734 . . . . 10.77 103.617 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.66 146.3 88.22 Favored Pre-proline 0 CA--C 1.52 -0.197 0 N-CA-C 113.518 0.933 . . . . 38.66 113.518 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -56.87 -37.78 97.41 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 N-CA-C 107.932 -1.603 . . . . 2.09 107.932 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -49.58 -26.48 3.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.34 -1.3 . . . . 27.81 111.413 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -100.55 -14.47 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 112.99 0.737 . . . . 2.06 112.99 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t -84.77 122.72 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.847 -1.168 . . . . 6.97 107.847 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 6.4 p90 -106.61 -3.42 20.72 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 115.478 1.659 . . . . 2.11 115.478 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tp -154.54 147.79 24.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.939 0.895 . . . . 6.64 108.675 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -156.52 122.87 5.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.975 -1.121 . . . . 34.53 107.975 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 20' ' ' GLU . 6.3 m -108.04 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.969 -0.56 . . . . 15.63 109.509 -179.577 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 19' ' ' THR . 15.7 pt-20 -70.1 -30.3 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.697 0.623 . . . . 72.15 110.898 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -127.41 -7.0 5.81 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 113.696 0.998 . . . . 25.81 113.696 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' ' OD2' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -131.36 172.55 12.04 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 113.032 0.753 . . . . 13.11 113.032 -179.397 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -156.59 147.21 21.64 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.742 -1.207 . . . . 7.04 107.742 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.21 148.59 44.77 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 110.11 -0.33 . . . . 2.0 110.11 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.86 176.39 11.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.956 0.725 . . . . 3.06 112.956 -179.083 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 m -99.52 157.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.714 -0.795 . . . . 5.97 112.035 179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.32 144.01 26.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.024 1.33 . . . . 35.15 109.601 179.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . 0.605 ' NH1' ' O ' ' A' ' 130' ' ' ARG . 4.4 tpp180 -81.28 -29.28 34.38 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.738 -1.579 . . . . 70.86 106.738 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -127.28 75.28 77.16 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.779 -0.822 . . . . 67.89 108.779 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.35 123.03 10.63 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 115.104 1.156 . . . . 20.1 115.104 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -48.0 -54.32 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 106.059 -1.83 . . . . 2.21 106.059 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 m -134.39 165.15 38.84 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 105.901 -1.889 . . . . 17.71 105.901 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.22 134.52 31.68 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 118.415 -0.59 . . . . 47.45 111.396 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.08 -2.22 51.31 Favored Glycine 0 CA--C 1.511 -0.212 0 N-CA-C 110.048 -1.221 . . . . 9.69 110.048 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -65.07 115.18 5.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.437 -2.801 . . . . 2.41 103.437 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 m -141.34 149.44 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.981 -1.118 . . . . 8.72 107.981 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.56 162.69 13.52 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.178 0.99 . . . . 10.47 112.872 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 t -139.94 115.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 101.938 -3.356 . . . . 6.1 101.938 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.95 152.05 72.3 Favored Pre-proline 0 CA--C 1.502 -0.885 0 C-N-CA 119.854 -0.738 . . . . 6.37 109.906 -179.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.4 152.95 73.98 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 106.861 -2.015 . . . . 2.22 106.861 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.33 -49.58 71.15 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.885 -2.265 . . . . 13.41 104.885 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 12.4 ttp85 -64.08 139.56 97.7 Favored Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 108.203 -1.036 . . . . 20.78 108.203 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -89.35 54.16 1.72 Allowed 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.53 2.153 . . . . 14.12 117.014 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.74 147.88 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 105.922 -1.881 . . . . 6.32 105.922 178.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -87.83 -26.66 22.71 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 118.224 2.676 . . . . 63.9 118.224 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' NE ' ' OD1' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -128.64 146.79 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.893 -0.723 . . . . 34.98 111.618 -179.529 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -42.72 -63.92 0.7 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 115.695 1.739 . . . . 20.68 115.695 -176.939 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -52.28 -0.16 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.794 1.035 . . . . 54.17 113.794 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . 6.7 t0 -91.07 -31.73 16.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.823 0.675 . . . . 65.66 112.823 179.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 140.47 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.664 -0.814 . . . . 10.71 109.377 179.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 14.1 mtm180 -54.66 178.95 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.665 -0.698 . . . . 54.95 110.743 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.08 -14.44 9.7 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 117.531 -1.179 . . . . 27.55 109.981 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -78.26 -59.58 2.72 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 106.148 -1.797 . . . . 15.36 106.148 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . 0.569 ' OE2' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -62.69 8.91 0.05 OUTLIER 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.322 -0.551 . . . . 33.46 111.778 179.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 51' ' ' ARG . 77.4 t -107.28 -24.7 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.027 -1.842 . . . . 2.0 106.027 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.19 -49.2 11.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.038 -1.468 . . . . 9.28 107.038 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' OD2' ' OG ' ' A' ' 22' ' ' SER . 0.9 OUTLIER -54.75 -57.91 9.65 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 14.68 112.104 179.83 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.73 -37.02 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.46 -0.896 . . . . 2.06 112.548 179.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -91.59 -20.47 21.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 115.556 1.688 . . . . 4.79 115.556 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.87 -45.86 40.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.011 -3.329 . . . . 6.43 102.011 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' THR . 16.6 m -54.59 -59.72 4.32 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.421 -0.808 . . . . 2.0 109.081 177.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' THR . 5.8 m -41.58 -49.61 4.08 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.004 -1.48 . . . . 5.38 107.004 179.56 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -42.28 -55.07 3.47 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 120.573 -0.451 . . . . 10.54 112.122 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -60.74 -74.52 0.08 Allowed 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.264 -1.384 . . . . 5.97 107.264 179.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.3 t -33.62 -24.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 N-CA-C 112.297 0.48 . . . . 2.0 112.297 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 64' ' ' ARG . . . -80.36 -43.34 9.54 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.393 -1.385 . . . . 2.62 110.427 -179.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -77.97 -18.55 55.85 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.825 1.417 . . . . 22.33 114.825 -179.617 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 6.8 t -93.31 -6.46 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 CA-C-N 115.742 -0.663 . . . . 6.31 109.581 179.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -114.2 -30.99 2.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 113.019 0.748 . . . . 3.54 113.019 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -72.92 -25.12 60.93 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 104.944 -2.243 . . . . 5.85 104.944 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -74.55 -60.72 2.15 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.314 -1.312 . . . . 13.58 110.28 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 78.0 t60 -66.78 -8.6 29.56 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 116.339 1.977 . . . . 19.64 116.339 -177.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -118.75 8.23 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.365 -0.934 . . . . 2.01 111.544 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 64.31 41.87 5.66 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 116.069 1.878 . . . . 53.61 116.069 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.51 166.02 41.31 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 119.65 -1.262 . . . . 5.9 110.195 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 8.02 12.37 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.333 -1.358 . . . . 28.55 107.333 179.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p 165.68 167.15 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.47 -1.308 . . . . 2.06 107.47 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.68 171.17 11.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 114.417 1.265 . . . . 2.04 114.417 179.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -129.69 116.61 19.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 106.063 -1.828 . . . . 2.1 106.063 179.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -107.83 144.4 35.07 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.043 -1.095 . . . . 2.2 108.043 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.38 116.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 115.842 1.793 . . . . 8.73 115.842 179.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -94.29 122.5 36.9 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.397 -0.82 . . . . 2.21 111.476 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . 0.415 ' CB ' ' O1B' ' A' ' 301' ' ' IB2 . 0.1 OUTLIER -95.32 90.05 5.69 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.66 -1.608 . . . . 51.23 106.66 178.993 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . 0.496 ' OD1' ' NE ' ' A' ' 46' ' ' ARG . 46.2 t0 -96.05 117.07 29.96 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 113.698 0.999 . . . . 20.26 113.698 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.73 153.04 29.97 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.768 -1.733 . . . . 2.26 108.768 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -72.45 -22.85 20.95 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 CA-C-N 118.074 0.937 . . . . 6.09 113.666 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . . . -75.38 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.937 -1.105 . . . . 7.77 108.078 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.92 -23.4 20.49 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.486 -1.233 . . . . 10.95 108.981 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.53 -8.52 12.0 Favored Glycine 0 C--O 1.222 -0.597 0 CA-C-N 115.114 -0.948 . . . . 2.25 113.558 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.1 148.12 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.228 0.514 . . . . 9.4 111.085 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -136.75 -27.08 1.04 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 108.641 -0.874 . . . . 20.59 108.641 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.74 133.33 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 1 N-CA-C 98.702 -4.555 . . . . 18.8 98.702 174.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -85.28 52.14 2.37 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 113.976 1.102 . . . . 13.06 113.976 -175.146 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -132.35 155.99 47.41 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 107.089 -1.448 . . . . 6.31 107.089 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.3 t -81.83 142.76 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 1 N-CA-C 97.121 -5.14 . . . . 15.26 97.121 176.261 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -178.29 135.66 0.16 Allowed 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.014 -0.674 . . . . 9.28 111.083 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.8 t -95.03 142.41 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 113.773 1.027 . . . . 3.36 113.773 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HIS . . . . . 0.552 ' CG ' ' S2G' ' A' ' 301' ' ' IB2 . 55.0 m-70 -104.87 113.68 27.42 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.281 -0.637 . . . . 2.0 109.281 179.049 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.4 t -105.68 118.74 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 108.457 -0.942 . . . . 4.47 108.457 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.0 129.31 23.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.789 -0.819 . . . . 12.61 108.789 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -79.86 136.82 12.14 Favored 'Trans proline' 0 CA--C 1.509 -0.761 0 C-N-CA 123.302 2.668 . . . . 2.25 108.181 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -111.83 151.46 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 116.423 2.008 . . . . 18.09 116.423 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.97 157.74 43.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.539 -1.209 . . . . 65.28 107.77 178.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 105' ' ' GLY . . . -44.66 160.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.291 -1.003 . . . . 22.32 108.291 179.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 104' ' ' ALA . . . 1.42 74.29 0.0 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 O-C-N 123.749 0.656 . . . . 17.75 112.649 179.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' ALA . 1.3 p-10 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 108.178 -1.045 . . . . 53.52 108.178 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.095 -0.335 . . . . 52.42 110.095 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -55.38 155.83 4.89 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.071 -1.455 . . . . 54.44 107.071 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . 0.605 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -162.53 153.74 17.71 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 118.225 -1.39 . . . . 23.0 111.056 -179.272 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 160.73 11.77 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 116.095 1.887 . . . . 20.41 116.095 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -61.1 -43.75 98.41 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 105.643 -1.984 . . . . 57.07 105.643 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . . . -58.16 -44.66 88.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 114.992 -1.004 . . . . 14.92 112.678 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . . . -66.98 -30.88 71.12 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.319 -1.363 . . . . 10.94 107.319 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.7 mtp -73.5 -38.31 65.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.164 -1.421 . . . . 10.36 107.164 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.78 68.95 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.095 -0.957 . . . . 5.04 111.056 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -77.84 -55.52 5.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.065 -1.087 . . . . 2.13 108.065 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -48.69 -42.29 34.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.325 -0.62 . . . . 9.1 109.325 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.69 77.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.65 -0.87 . . . . 3.28 108.65 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.0 95.85 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.11 -0.95 . . . . 2.21 111.541 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.84 -59.04 5.44 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.814 -0.81 . . . . 4.51 108.814 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.13 -42.45 76.92 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 113.318 0.859 . . . . 27.1 113.318 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -43.37 -28.75 0.36 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.904 0.705 . . . . 13.65 112.904 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' VAL . . . . . 0.571 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 24.6 t -67.61 -33.53 62.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 N-CA-C 116.237 1.94 . . . . 6.26 116.237 -177.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -74.99 -4.13 36.43 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.909 -0.716 . . . . 3.96 112.723 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -108.71 6.94 26.18 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.56 0.219 . . . . 27.03 111.313 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' A' ' 144' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.674 -0.679 . . . . 35.99 109.934 179.024 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' IB2 . . . . . 1.483 ' S2G' ' PG ' ' A' ' 301' ' ' IB2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 3' ' ' PHE . 70.6 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.197 0.046 . . . . 73.55 111.004 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 72.8 m-85 80.16 104.25 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.099 1.518 . . . . 42.96 115.099 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -87.93 152.09 22.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.568 -0.742 . . . . 86.67 109.625 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' HB2' HG12 ' A' ' 10' ' ' ILE . 16.1 t80 -161.62 81.93 0.59 Allowed 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.439 -1.319 . . . . 17.49 107.439 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.2 -144.19 31.7 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 108.152 -1.979 . . . . 15.57 108.152 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.87 -18.03 65.18 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.359 1.244 . . . . 72.75 114.359 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 156.59 33.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 116.154 1.909 . . . . 18.07 116.154 -178.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 10' ' ' ILE . 1.6 mp -85.53 154.94 21.42 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.341 -1.3 . . . . 19.15 110.1 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . 0.808 HG21 HD13 ' A' ' 25' ' ' LEU . 3.7 mm -116.82 135.63 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 N-CA-C 103.617 -2.734 . . . . 10.77 103.617 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.66 146.3 88.22 Favored Pre-proline 0 CA--C 1.52 -0.197 0 N-CA-C 113.518 0.933 . . . . 38.66 113.518 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -56.87 -37.78 97.41 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 N-CA-C 107.932 -1.603 . . . . 2.09 107.932 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -49.58 -26.48 3.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.34 -1.3 . . . . 27.81 111.413 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG13 HG22 ' A' ' 26' ' ' VAL . 79.6 t -100.55 -14.47 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 112.99 0.737 . . . . 2.06 112.99 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 3' ' ' PHE . 45.0 t -84.77 122.72 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.847 -1.168 . . . . 6.97 107.847 179.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 6.4 p90 -106.61 -3.42 20.72 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 115.478 1.659 . . . . 2.11 115.478 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD12 ' H ' ' A' ' 18' ' ' LYS . 3.4 tp -154.54 147.79 24.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.939 0.895 . . . . 6.64 108.675 177.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.753 ' H ' HD12 ' A' ' 17' ' ' LEU . 13.1 tttt -156.52 122.87 5.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.975 -1.121 . . . . 34.53 107.975 178.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.897 HG22 ' H ' ' A' ' 20' ' ' GLU . 6.3 m -108.04 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.969 -0.56 . . . . 15.63 109.509 -179.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.897 ' H ' HG22 ' A' ' 19' ' ' THR . 15.7 pt-20 -70.1 -30.3 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.697 0.623 . . . . 72.15 110.898 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' HA ' HD12 ' A' ' 41' ' ' LEU . 20.4 mt -127.41 -7.0 5.81 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 113.696 0.998 . . . . 25.81 113.696 -178.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.36 172.55 12.04 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 113.032 0.753 . . . . 13.11 113.032 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -156.59 147.21 21.64 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.742 -1.207 . . . . 7.04 107.742 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.21 148.59 44.77 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 110.11 -0.33 . . . . 2.0 110.11 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 0.808 HD13 HG21 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -150.86 176.39 11.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.956 0.725 . . . . 3.06 112.956 -179.083 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG22 HG13 ' A' ' 14' ' ' VAL . 2.8 m -99.52 157.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.714 -0.795 . . . . 5.97 112.035 179.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.32 144.01 26.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.024 1.33 . . . . 35.15 109.601 179.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HD2' ' CD1' ' A' ' 129' ' ' TRP . 4.4 tpp180 -81.28 -29.28 34.38 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.738 -1.579 . . . . 70.86 106.738 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -127.28 75.28 77.16 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.779 -0.822 . . . . 67.89 108.779 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.35 123.03 10.63 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 115.104 1.156 . . . . 20.1 115.104 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 32' ' ' VAL . 41.5 t -48.0 -54.32 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 106.059 -1.83 . . . . 2.21 106.059 177.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . 0.702 HG13 HG12 ' A' ' 31' ' ' VAL . 11.6 m -134.39 165.15 38.84 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 105.901 -1.889 . . . . 17.71 105.901 178.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.22 134.52 31.68 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 118.415 -0.59 . . . . 47.45 111.396 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' HA3' ' HG2' ' A' ' 101' ' ' PRO . . . 102.08 -2.22 51.31 Favored Glycine 0 CA--C 1.511 -0.212 0 N-CA-C 110.048 -1.221 . . . . 9.69 110.048 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CE1' HG23 ' A' ' 31' ' ' VAL . 17.0 t-160 -65.07 115.18 5.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.437 -2.801 . . . . 2.41 103.437 178.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.9 m -141.34 149.44 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.981 -1.118 . . . . 8.72 107.981 177.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.56 162.69 13.52 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.178 0.99 . . . . 10.47 112.872 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 t -139.94 115.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 101.938 -3.356 . . . . 6.1 101.938 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.95 152.05 72.3 Favored Pre-proline 0 CA--C 1.502 -0.885 0 C-N-CA 119.854 -0.738 . . . . 6.37 109.906 -179.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . 0.811 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 37.1 Cg_endo -62.4 152.95 73.98 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 106.861 -2.015 . . . . 2.22 106.861 179.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 21' ' ' LEU . 13.2 mt -64.33 -49.58 71.15 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.885 -2.265 . . . . 13.41 104.885 178.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 12.4 ttp85 -64.08 139.56 97.7 Favored Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 108.203 -1.036 . . . . 20.78 108.203 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ARG . 61.6 Cg_endo -89.35 54.16 1.72 Allowed 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.53 2.153 . . . . 14.12 117.014 -179.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG2' HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -79.74 147.88 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 105.922 -1.881 . . . . 6.32 105.922 178.795 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 3.0 tt0 -87.83 -26.66 22.71 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 118.224 2.676 . . . . 63.9 118.224 -177.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.692 HH21 ' CG ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -128.64 146.79 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.893 -0.723 . . . . 34.98 111.618 -179.529 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -42.72 -63.92 0.7 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 115.695 1.739 . . . . 20.68 115.695 -176.939 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -52.28 -0.16 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.794 1.035 . . . . 54.17 113.794 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 47' ' ' PHE . 6.7 t0 -91.07 -31.73 16.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.823 0.675 . . . . 65.66 112.823 179.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . 0.733 HD21 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -71.31 140.47 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.664 -0.814 . . . . 10.71 109.377 179.576 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . 0.849 ' O ' HG23 ' A' ' 55' ' ' VAL . 14.1 mtm180 -54.66 178.95 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.665 -0.698 . . . . 54.95 110.743 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 51' ' ' ARG . 55.7 Cg_endo -82.08 -14.44 9.7 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 117.531 -1.179 . . . . 27.55 109.981 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 55' ' ' VAL . . . -78.26 -59.58 2.72 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 106.148 -1.797 . . . . 15.36 106.148 178.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.588 ' OE2' ' HG3' ' A' ' 51' ' ' ARG . 8.5 mt-10 -62.69 8.91 0.05 OUTLIER 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.322 -0.551 . . . . 33.46 111.778 179.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 51' ' ' ARG . 77.4 t -107.28 -24.7 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.027 -1.842 . . . . 2.0 106.027 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.19 -49.2 11.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.038 -1.468 . . . . 9.28 107.038 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.75 -57.91 9.65 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 14.68 112.104 179.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.623 HD11 HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -48.73 -37.02 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.46 -0.896 . . . . 2.06 112.548 179.94 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CE2' HD23 ' A' ' 58' ' ' LEU . 31.9 m-85 -91.59 -20.47 21.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 115.556 1.688 . . . . 4.79 115.556 -177.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 63' ' ' GLN . 15.0 mt-30 -74.87 -45.86 40.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.011 -3.329 . . . . 6.43 102.011 177.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' THR . 16.6 m -54.59 -59.72 4.32 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.421 -0.808 . . . . 2.0 109.081 177.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' THR . 5.8 m -41.58 -49.61 4.08 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.004 -1.48 . . . . 5.38 107.004 179.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . 0.573 ' HB3' ' O ' ' A' ' 60' ' ' GLN . 52.8 tt0 -42.28 -55.07 3.47 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 120.573 -0.451 . . . . 10.54 112.122 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -60.74 -74.52 0.08 Allowed 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.264 -1.384 . . . . 5.97 107.264 179.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.3 t -33.62 -24.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 N-CA-C 112.297 0.48 . . . . 2.0 112.297 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 64' ' ' ARG . . . -80.36 -43.34 9.54 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.393 -1.385 . . . . 2.62 110.427 -179.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -77.97 -18.55 55.85 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.825 1.417 . . . . 22.33 114.825 -179.617 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 146' ' ' PHE . 6.8 t -93.31 -6.46 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 CA-C-N 115.742 -0.663 . . . . 6.31 109.581 179.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . 0.676 ' CG1' ' HG3' ' A' ' 101' ' ' PRO . 2.0 t -114.2 -30.99 2.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 113.019 0.748 . . . . 3.54 113.019 -178.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 15.0 tt0 -72.92 -25.12 60.93 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 104.944 -2.243 . . . . 5.85 104.944 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -74.55 -60.72 2.15 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.314 -1.312 . . . . 13.58 110.28 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 78.0 t60 -66.78 -8.6 29.56 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 116.339 1.977 . . . . 19.64 116.339 -177.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CE1' ' HD2' ' A' ' 72' ' ' HIS . 46.1 m-85 -118.75 8.23 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.365 -0.934 . . . . 2.01 111.544 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 64.31 41.87 5.66 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 116.069 1.878 . . . . 53.61 116.069 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.51 166.02 41.31 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 119.65 -1.262 . . . . 5.9 110.195 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 8.02 12.37 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.333 -1.358 . . . . 28.55 107.333 179.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . 0.479 ' HA ' ' OE2' ' A' ' 70' ' ' GLU . 10.1 p 165.68 167.15 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.47 -1.308 . . . . 2.06 107.47 179.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -127.68 171.17 11.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 114.417 1.265 . . . . 2.04 114.417 179.009 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . 0.505 ' HB ' HH11 ' A' ' 102' ' ' ARG . 0.4 OUTLIER -129.69 116.61 19.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 106.063 -1.828 . . . . 2.1 106.063 179.494 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 78' ' ' LEU . 92.1 m-85 -107.83 144.4 35.07 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.043 -1.095 . . . . 2.2 108.043 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.38 116.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 115.842 1.793 . . . . 8.73 115.842 179.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -94.29 122.5 36.9 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.397 -0.82 . . . . 2.21 111.476 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . 0.765 ' HG2' ' O2B' ' A' ' 301' ' ' IB2 . 0.1 OUTLIER -95.32 90.05 5.69 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.66 -1.608 . . . . 51.23 106.66 178.993 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . 0.692 ' CG ' HH21 ' A' ' 46' ' ' ARG . 46.2 t0 -96.05 117.07 29.96 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 113.698 0.999 . . . . 20.26 113.698 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.73 153.04 29.97 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.768 -1.733 . . . . 2.26 108.768 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -72.45 -22.85 20.95 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 CA-C-N 118.074 0.937 . . . . 6.09 113.666 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . . . -75.38 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.937 -1.105 . . . . 7.77 108.078 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.92 -23.4 20.49 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.486 -1.233 . . . . 10.95 108.981 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.53 -8.52 12.0 Favored Glycine 0 C--O 1.222 -0.597 0 CA-C-N 115.114 -0.948 . . . . 2.25 113.558 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.1 148.12 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.228 0.514 . . . . 9.4 111.085 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -136.75 -27.08 1.04 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 108.641 -0.874 . . . . 20.59 108.641 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.74 133.33 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 1 N-CA-C 98.702 -4.555 . . . . 18.8 98.702 174.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . 0.699 ' N ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -85.28 52.14 2.37 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 113.976 1.102 . . . . 13.06 113.976 -175.146 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HIS . . . . . 0.617 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 5.9 t-80 -132.35 155.99 47.41 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 107.089 -1.448 . . . . 6.31 107.089 -178.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . 0.811 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 52.3 t -81.83 142.76 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 1 N-CA-C 97.121 -5.14 . . . . 15.26 97.121 176.261 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 9.3 p-80 -178.29 135.66 0.16 Allowed 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.014 -0.674 . . . . 9.28 111.083 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . 0.623 HG23 HD11 ' A' ' 58' ' ' LEU . 1.8 t -95.03 142.41 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 113.773 1.027 . . . . 3.36 113.773 -178.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HIS . . . . . 0.552 ' CG ' ' S2G' ' A' ' 301' ' ' IB2 . 55.0 m-70 -104.87 113.68 27.42 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.281 -0.637 . . . . 2.0 109.281 179.049 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.4 t -105.68 118.74 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 108.457 -0.942 . . . . 4.47 108.457 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.0 129.31 23.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.789 -0.819 . . . . 12.61 108.789 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PRO . . . . . 0.676 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 3.7 Cg_endo -79.86 136.82 12.14 Favored 'Trans proline' 0 CA--C 1.509 -0.761 0 C-N-CA 123.302 2.668 . . . . 2.25 108.181 179.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ARG . . . . . 0.505 HH11 ' HB ' ' A' ' 79' ' ' THR . 43.2 mmm-85 -111.83 151.46 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 116.423 2.008 . . . . 18.09 116.423 -177.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.97 157.74 43.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.539 -1.209 . . . . 65.28 107.77 178.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 105' ' ' GLY . . . -44.66 160.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.291 -1.003 . . . . 22.32 108.291 179.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 104' ' ' ALA . . . 1.42 74.29 0.0 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 O-C-N 123.749 0.656 . . . . 17.75 112.649 179.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' ALA . 1.3 p-10 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 108.178 -1.045 . . . . 53.52 108.178 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.095 -0.335 . . . . 52.42 110.095 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' TRP . . . . . 0.469 ' CD1' ' HD2' ' A' ' 28' ' ' ARG . 68.4 t90 -55.38 155.83 4.89 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.071 -1.455 . . . . 54.44 107.071 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . 0.407 HH22 ' CD ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -162.53 153.74 17.71 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 118.225 -1.39 . . . . 23.0 111.056 -179.272 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 160.73 11.77 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 116.095 1.887 . . . . 20.41 116.095 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -61.1 -43.75 98.41 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 105.643 -1.984 . . . . 57.07 105.643 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . . . -58.16 -44.66 88.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 114.992 -1.004 . . . . 14.92 112.678 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . . . -66.98 -30.88 71.12 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.319 -1.363 . . . . 10.94 107.319 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.7 mtp -73.5 -38.31 65.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.164 -1.421 . . . . 10.36 107.164 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.78 68.95 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.095 -0.957 . . . . 5.04 111.056 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -77.84 -55.52 5.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.065 -1.087 . . . . 2.13 108.065 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CD ' HH22 ' A' ' 130' ' ' ARG . 6.9 tt0 -48.69 -42.29 34.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.325 -0.62 . . . . 9.1 109.325 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.69 77.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.65 -0.87 . . . . 3.28 108.65 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.0 95.85 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.11 -0.95 . . . . 2.21 111.541 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.84 -59.04 5.44 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.814 -0.81 . . . . 4.51 108.814 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' LEU . . . . . 0.414 HD11 HG22 ' A' ' 69' ' ' VAL . 11.5 mt -56.13 -42.45 76.92 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 113.318 0.859 . . . . 27.1 113.318 -178.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -43.37 -28.75 0.36 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.904 0.705 . . . . 13.65 112.904 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' VAL . . . . . 0.448 HG13 ' OE1' ' A' ' 147' ' ' GLN . 24.6 t -67.61 -33.53 62.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 N-CA-C 116.237 1.94 . . . . 6.26 116.237 -177.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' TYR . . . . . 0.442 ' HB2' HG13 ' A' ' 68' ' ' VAL . 9.4 m-85 -74.99 -4.13 36.43 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.909 -0.716 . . . . 3.96 112.723 179.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 146' ' ' PHE . . . . . 0.615 ' CE1' HG21 ' A' ' 68' ' ' VAL . 54.5 m-85 -108.71 6.94 26.18 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.56 0.219 . . . . 27.03 111.313 179.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 147' ' ' GLN . . . . . 0.448 ' OE1' HG13 ' A' ' 144' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.674 -0.679 . . . . 35.99 109.934 179.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 301' ' ' IB2 . . . . . 1.483 ' S2G' ' PG ' ' A' ' 301' ' ' IB2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 3' ' ' PHE . 70.6 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.197 0.046 . . . . 73.55 111.004 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 72.8 m-85 80.16 104.25 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.099 1.518 . . . . 42.96 115.099 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -87.93 152.09 22.33 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.568 -0.742 . . . . 86.67 109.625 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' HB2' HG12 ' A' ' 10' ' ' ILE . 16.1 t80 -161.62 81.93 0.59 Allowed 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.439 -1.319 . . . . 17.49 107.439 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.2 -144.19 31.7 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 108.152 -1.979 . . . . 15.57 108.152 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.87 -18.03 65.18 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.359 1.244 . . . . 72.75 114.359 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -122.09 156.59 33.26 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 116.154 1.909 . . . . 18.07 116.154 -178.715 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 10' ' ' ILE . 1.6 mp -85.53 154.94 21.42 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 114.341 -1.3 . . . . 19.15 110.1 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.808 HG21 HD13 ' A' ' 25' ' ' LEU . 3.7 mm -116.82 135.63 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 N-CA-C 103.617 -2.734 . . . . 10.77 103.617 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.66 146.3 88.22 Favored Pre-proline 0 CA--C 1.52 -0.197 0 N-CA-C 113.518 0.933 . . . . 38.66 113.518 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -56.87 -37.78 97.41 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 N-CA-C 107.932 -1.603 . . . . 2.09 107.932 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -49.58 -26.48 3.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.34 -1.3 . . . . 27.81 111.413 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG13 HG22 ' A' ' 26' ' ' VAL . 79.6 t -100.55 -14.47 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 112.99 0.737 . . . . 2.06 112.99 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 3' ' ' PHE . 45.0 t -84.77 122.72 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.847 -1.168 . . . . 6.97 107.847 179.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 6.4 p90 -106.61 -3.42 20.72 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 115.478 1.659 . . . . 2.11 115.478 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD12 ' H ' ' A' ' 18' ' ' LYS . 3.4 tp -154.54 147.79 24.88 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.939 0.895 . . . . 6.64 108.675 177.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.753 ' H ' HD12 ' A' ' 17' ' ' LEU . 13.1 tttt -156.52 122.87 5.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.975 -1.121 . . . . 34.53 107.975 178.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.897 HG22 ' H ' ' A' ' 20' ' ' GLU . 6.3 m -108.04 -168.92 1.43 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.969 -0.56 . . . . 15.63 109.509 -179.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.897 ' H ' HG22 ' A' ' 19' ' ' THR . 15.7 pt-20 -70.1 -30.3 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.697 0.623 . . . . 72.15 110.898 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' HA ' HD12 ' A' ' 41' ' ' LEU . 20.4 mt -127.41 -7.0 5.81 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 113.696 0.998 . . . . 25.81 113.696 -178.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.36 172.55 12.04 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 113.032 0.753 . . . . 13.11 113.032 -179.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -156.59 147.21 21.64 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.742 -1.207 . . . . 7.04 107.742 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.21 148.59 44.77 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 110.11 -0.33 . . . . 2.0 110.11 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.808 HD13 HG21 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -150.86 176.39 11.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.956 0.725 . . . . 3.06 112.956 -179.083 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG22 HG13 ' A' ' 14' ' ' VAL . 2.8 m -99.52 157.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.714 -0.795 . . . . 5.97 112.035 179.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.32 144.01 26.99 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.024 1.33 . . . . 35.15 109.601 179.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HD2' ' CD1' ' A' ' 129' ' ' TRP . 4.4 tpp180 -81.28 -29.28 34.38 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 106.738 -1.579 . . . . 70.86 106.738 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -127.28 75.28 77.16 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.779 -0.822 . . . . 67.89 108.779 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -66.35 123.03 10.63 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 115.104 1.156 . . . . 20.1 115.104 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 32' ' ' VAL . 41.5 t -48.0 -54.32 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 106.059 -1.83 . . . . 2.21 106.059 177.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.702 HG13 HG12 ' A' ' 31' ' ' VAL . 11.6 m -134.39 165.15 38.84 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 105.901 -1.889 . . . . 17.71 105.901 178.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.22 134.52 31.68 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 118.415 -0.59 . . . . 47.45 111.396 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' HA3' ' HG2' ' A' ' 101' ' ' PRO . . . 102.08 -2.22 51.31 Favored Glycine 0 CA--C 1.511 -0.212 0 N-CA-C 110.048 -1.221 . . . . 9.69 110.048 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CE1' HG23 ' A' ' 31' ' ' VAL . 17.0 t-160 -65.07 115.18 5.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.437 -2.801 . . . . 2.41 103.437 178.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.9 m -141.34 149.44 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.981 -1.118 . . . . 8.72 107.981 177.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.56 162.69 13.52 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 122.178 0.99 . . . . 10.47 112.872 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 t -139.94 115.76 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 101.938 -3.356 . . . . 6.1 101.938 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.95 152.05 72.3 Favored Pre-proline 0 CA--C 1.502 -0.885 0 C-N-CA 119.854 -0.738 . . . . 6.37 109.906 -179.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.811 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 37.1 Cg_endo -62.4 152.95 73.98 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 106.861 -2.015 . . . . 2.22 106.861 179.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 21' ' ' LEU . 13.2 mt -64.33 -49.58 71.15 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.885 -2.265 . . . . 13.41 104.885 178.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' NH2' ' OE2' ' A' ' 54' ' ' GLU . 12.4 ttp85 -64.08 139.56 97.7 Favored Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 108.203 -1.036 . . . . 20.78 108.203 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ARG . 61.6 Cg_endo -89.35 54.16 1.72 Allowed 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.53 2.153 . . . . 14.12 117.014 -179.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG2' HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -79.74 147.88 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 105.922 -1.881 . . . . 6.32 105.922 178.795 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 3.0 tt0 -87.83 -26.66 22.71 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 118.224 2.676 . . . . 63.9 118.224 -177.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.692 HH21 ' CG ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -128.64 146.79 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.893 -0.723 . . . . 34.98 111.618 -179.529 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -42.72 -63.92 0.7 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 115.695 1.739 . . . . 20.68 115.695 -176.939 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -52.28 -0.16 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.794 1.035 . . . . 54.17 113.794 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 47' ' ' PHE . 6.7 t0 -91.07 -31.73 16.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.823 0.675 . . . . 65.66 112.823 179.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.733 HD21 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -71.31 140.47 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.664 -0.814 . . . . 10.71 109.377 179.576 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.849 ' O ' HG23 ' A' ' 55' ' ' VAL . 14.1 mtm180 -54.66 178.95 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.665 -0.698 . . . . 54.95 110.743 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 51' ' ' ARG . 55.7 Cg_endo -82.08 -14.44 9.7 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 117.531 -1.179 . . . . 27.55 109.981 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 55' ' ' VAL . . . -78.26 -59.58 2.72 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 106.148 -1.797 . . . . 15.36 106.148 178.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.588 ' OE2' ' HG3' ' A' ' 51' ' ' ARG . 8.5 mt-10 -62.69 8.91 0.05 OUTLIER 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.322 -0.551 . . . . 33.46 111.778 179.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 51' ' ' ARG . 77.4 t -107.28 -24.7 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.027 -1.842 . . . . 2.0 106.027 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.19 -49.2 11.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.038 -1.468 . . . . 9.28 107.038 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.75 -57.91 9.65 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 14.68 112.104 179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.623 HD11 HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -48.73 -37.02 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.46 -0.896 . . . . 2.06 112.548 179.94 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.466 ' CE2' HD23 ' A' ' 58' ' ' LEU . 31.9 m-85 -91.59 -20.47 21.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 115.556 1.688 . . . . 4.79 115.556 -177.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 63' ' ' GLN . 15.0 mt-30 -74.87 -45.86 40.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.011 -3.329 . . . . 6.43 102.011 177.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' THR . 16.6 m -54.59 -59.72 4.32 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.421 -0.808 . . . . 2.0 109.081 177.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 61' ' ' THR . 5.8 m -41.58 -49.61 4.08 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.004 -1.48 . . . . 5.38 107.004 179.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.573 ' HB3' ' O ' ' A' ' 60' ' ' GLN . 7.3 tt0 -42.28 -55.07 3.47 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 120.573 -0.451 . . . . 10.54 112.122 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -60.74 -74.52 0.08 Allowed 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.264 -1.384 . . . . 5.97 107.264 179.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.3 t -33.62 -24.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 N-CA-C 112.297 0.48 . . . . 2.0 112.297 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 64' ' ' ARG . . . -80.36 -43.34 9.54 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 119.393 -1.385 . . . . 2.62 110.427 -179.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -77.97 -18.55 55.85 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.825 1.417 . . . . 22.33 114.825 -179.617 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 146' ' ' PHE . 6.8 t -93.31 -6.46 10.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 CA-C-N 115.742 -0.663 . . . . 6.31 109.581 179.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.676 ' CG1' ' HG3' ' A' ' 101' ' ' PRO . 2.0 t -114.2 -30.99 2.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 113.019 0.748 . . . . 3.54 113.019 -178.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 15.0 tt0 -72.92 -25.12 60.93 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 104.944 -2.243 . . . . 5.85 104.944 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -74.55 -60.72 2.15 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.314 -1.312 . . . . 13.58 110.28 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 78.0 t60 -66.78 -8.6 29.56 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 116.339 1.977 . . . . 19.64 116.339 -177.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CE1' ' HD2' ' A' ' 72' ' ' HIS . 46.1 m-85 -118.75 8.23 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.365 -0.934 . . . . 2.01 111.544 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 64.31 41.87 5.66 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 116.069 1.878 . . . . 53.61 116.069 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.51 166.02 41.31 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 119.65 -1.262 . . . . 5.9 110.195 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 8.02 12.37 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.333 -1.358 . . . . 28.55 107.333 179.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . 0.479 ' HA ' ' OE2' ' A' ' 70' ' ' GLU . 10.1 p 165.68 167.15 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.47 -1.308 . . . . 2.06 107.47 179.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -127.68 171.17 11.93 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 114.417 1.265 . . . . 2.04 114.417 179.009 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . 0.505 ' HB ' HH11 ' A' ' 102' ' ' ARG . 0.4 OUTLIER -129.69 116.61 19.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 106.063 -1.828 . . . . 2.1 106.063 179.494 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 78' ' ' LEU . 92.1 m-85 -107.83 144.4 35.07 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.043 -1.095 . . . . 2.2 108.043 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.38 116.97 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 115.842 1.793 . . . . 8.73 115.842 179.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -94.29 122.5 36.9 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.397 -0.82 . . . . 2.21 111.476 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.765 ' HG2' ' O2B' ' A' ' 301' ' ' IB2 . 0.1 OUTLIER -95.32 90.05 5.69 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.66 -1.608 . . . . 51.23 106.66 178.993 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.692 ' CG ' HH21 ' A' ' 46' ' ' ARG . 46.2 t0 -96.05 117.07 29.96 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 113.698 0.999 . . . . 20.26 113.698 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.73 153.04 29.97 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.768 -1.733 . . . . 2.26 108.768 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -72.45 -22.85 20.95 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 CA-C-N 118.074 0.937 . . . . 6.09 113.666 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . . . -75.38 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 118.937 -1.105 . . . . 7.77 108.078 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.92 -23.4 20.49 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 114.486 -1.233 . . . . 10.95 108.981 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.53 -8.52 12.0 Favored Glycine 0 C--O 1.222 -0.597 0 CA-C-N 115.114 -0.948 . . . . 2.25 113.558 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.1 148.12 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.228 0.514 . . . . 9.4 111.085 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 p -136.75 -27.08 1.04 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 108.641 -0.874 . . . . 20.59 108.641 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.6 t -98.74 133.33 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 1 N-CA-C 98.702 -4.555 . . . . 18.8 98.702 174.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.699 ' N ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -85.28 52.14 2.37 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 113.976 1.102 . . . . 13.06 113.976 -175.146 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.617 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 5.9 t-80 -132.35 155.99 47.41 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 107.089 -1.448 . . . . 6.31 107.089 -178.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.811 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 52.3 t -81.83 142.76 13.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 1 N-CA-C 97.121 -5.14 . . . . 15.26 97.121 176.261 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 9.3 p-80 -178.29 135.66 0.16 Allowed 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.014 -0.674 . . . . 9.28 111.083 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.623 HG23 HD11 ' A' ' 58' ' ' LEU . 1.8 t -95.03 142.41 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 N-CA-C 113.773 1.027 . . . . 3.36 113.773 -178.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.552 ' CG ' ' S2G' ' A' ' 301' ' ' IB2 . 55.0 m-70 -104.87 113.68 27.42 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.281 -0.637 . . . . 2.0 109.281 179.049 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.4 t -105.68 118.74 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 108.457 -0.942 . . . . 4.47 108.457 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.0 129.31 23.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.789 -0.819 . . . . 12.61 108.789 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.676 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 3.7 Cg_endo -79.86 136.82 12.14 Favored 'Trans proline' 0 CA--C 1.509 -0.761 0 C-N-CA 123.302 2.668 . . . . 2.25 108.181 179.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.505 HH11 ' HB ' ' A' ' 79' ' ' THR . 43.2 mmm-85 -111.83 151.46 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 116.423 2.008 . . . . 18.09 116.423 -177.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.97 157.74 43.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.539 -1.209 . . . . 65.28 107.77 178.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 105' ' ' GLY . . . -44.66 160.48 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.291 -1.003 . . . . 22.32 108.291 179.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.63 ' C ' ' O ' ' A' ' 104' ' ' ALA . . . 1.42 74.29 0.0 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 O-C-N 123.749 0.656 . . . . 17.75 112.649 179.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' ALA . 1.3 p-10 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 108.178 -1.045 . . . . 53.52 108.178 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.095 -0.335 . . . . 52.42 110.095 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.469 ' CD1' ' HD2' ' A' ' 28' ' ' ARG . 68.4 t90 -55.38 155.83 4.89 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 107.071 -1.455 . . . . 54.44 107.071 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.407 HH22 ' CD ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -162.53 153.74 17.71 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 118.225 -1.39 . . . . 23.0 111.056 -179.272 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 160.73 11.77 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 116.095 1.887 . . . . 20.41 116.095 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -61.1 -43.75 98.41 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 105.643 -1.984 . . . . 57.07 105.643 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . . . -58.16 -44.66 88.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 114.992 -1.004 . . . . 14.92 112.678 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . . . -66.98 -30.88 71.12 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.319 -1.363 . . . . 10.94 107.319 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.7 mtp -73.5 -38.31 65.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.164 -1.421 . . . . 10.36 107.164 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.89 -26.78 68.95 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.095 -0.957 . . . . 5.04 111.056 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -77.84 -55.52 5.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.065 -1.087 . . . . 2.13 108.065 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CD ' HH22 ' A' ' 130' ' ' ARG . 6.9 tt0 -48.69 -42.29 34.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.325 -0.62 . . . . 9.1 109.325 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.69 77.76 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.65 -0.87 . . . . 3.28 108.65 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.0 95.85 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.11 -0.95 . . . . 2.21 111.541 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.84 -59.04 5.44 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.814 -0.81 . . . . 4.51 108.814 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.414 HD11 HG22 ' A' ' 69' ' ' VAL . 11.5 mt -56.13 -42.45 76.92 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 113.318 0.859 . . . . 27.1 113.318 -178.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -43.37 -28.75 0.36 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.904 0.705 . . . . 13.65 112.904 -179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.854 HG13 HE22 ' A' ' 147' ' ' GLN . 24.6 t -67.61 -33.53 62.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 N-CA-C 116.237 1.94 . . . . 6.26 116.237 -177.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.442 ' HB2' HG13 ' A' ' 68' ' ' VAL . 9.4 m-85 -74.99 -4.13 36.43 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.909 -0.716 . . . . 3.96 112.723 179.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.615 ' CE1' HG21 ' A' ' 68' ' ' VAL . 54.5 m-85 -108.71 6.94 26.18 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.56 0.219 . . . . 27.03 111.313 179.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.854 HE22 HG13 ' A' ' 144' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.674 -0.679 . . . . 35.99 109.934 179.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' IB2 . . . . . 1.483 ' S2G' ' PG ' ' A' ' 301' ' ' IB2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_