data_1cta_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 1cta _Structure_validation_residue.Date_analyzed 2016-10-06 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 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 101.97 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.154 1 C-N-CA 153.609 12.764 . . . . 0.0 113.649 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -15.92 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 128.222 2.609 . . . . 0.0 116.803 168.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 67.66 -62.21 0.34 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.069 1.748 . . . . 0.0 111.975 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.62 -43.07 99.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 112.259 173.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -50.85 -50.46 56.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.894 0.878 . . . . 0.0 112.444 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -56.48 -45.46 80.95 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.842 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.41 67.08 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 124.38 1.05 . . . . 0.0 112.635 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -60.16 -51.47 69.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.21 -44.3 75.26 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.06 -50.97 60.45 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 112.673 -2.058 . . . . 0.0 111.547 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -68.67 -35.13 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 111.635 -2.53 . . . . 0.0 116.399 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.43 -40.56 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.867 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -80.91 -40.41 24.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.247 2.219 . . . . 0.0 114.459 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -77.21 56.88 1.35 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.282 2.633 . . . . 0.0 113.172 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -51.34 64.65 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.736 177.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.34 10.01 0.68 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.71 38.46 29.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 166.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -100.88 -3.31 29.96 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.03 25.44 72.1 Favored Glycine 0 CA--C 1.544 1.856 0 C-N-CA 123.319 0.485 . . . . 0.0 112.909 -170.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -140.59 176.71 8.57 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.087 1.355 . . . . 0.0 109.835 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.42 139.91 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.61 1.564 . . . . 0.0 109.626 164.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.37 176.76 4.89 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.747 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tp -48.7 -44.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 -173.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -68.03 -39.48 83.1 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 123.609 1.671 . . . . 0.0 115.484 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.85 -42.81 80.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.553 2.341 . . . . 0.0 111.685 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.13 -42.81 95.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.523 0.729 . . . . 0.0 110.065 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.55 -51.61 16.34 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.84 1.209 . . . . 0.0 112.062 166.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.64 -32.6 70.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -74.54 -56.54 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.887 0.475 . . . . 0.0 110.342 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.81 -10.94 22.93 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -55.72 92.63 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.421 152.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.33 47.29 1.13 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 124.876 2.274 . . . . 0.0 111.156 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.358 30.4 m -18.7 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.694 -2.503 . . . . 0.0 115.743 -105.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.33 -69.53 3.32 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 112.357 -2.201 . . . . 0.0 108.654 -161.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 O-C-N 120.681 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . 0.374 12.5 mtmt -85.51 -149.82 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 117.788 -3.07 . . . . 0.0 118.599 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t 69.72 67.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.796 1.638 . . . . 0.0 110.25 -127.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . 0.277 3.5 mp0 54.41 -24.96 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.496 1 N-CA-C 122.441 4.238 . . . . 0.0 122.441 170.005 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -50.05 -55.01 16.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.845 1.658 . . . . 0.0 113.698 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -51.6 61.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.481 0.712 . . . . 0.0 112.858 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.81 -43.36 99.0 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.2 69.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.503 1.121 . . . . 0.0 112.574 174.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -64.3 -46.67 82.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.95 82.62 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -52.58 -49.8 64.27 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.039 -1.892 . . . . 0.0 111.336 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -63.06 -40.2 96.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 111.684 -2.507 . . . . 0.0 115.725 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.756 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -77.62 -39.33 45.69 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.462 1.905 . . . . 0.0 113.506 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.13 56.3 0.61 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.571 2.748 . . . . 0.0 111.89 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -47.81 -50.51 25.72 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 112.021 -2.354 . . . . 0.0 112.443 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -82.73 18.02 1.68 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 52.88 28.66 6.75 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 164.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -90.91 3.44 54.57 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.389 -1.732 . . . . 0.0 115.063 -174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.61 22.48 71.63 Favored Glycine 0 CA--C 1.544 1.906 0 C-N-CA 124.297 0.951 . . . . 0.0 113.074 -171.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.76 171.43 14.07 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.109 1.364 . . . . 0.0 111.373 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -115.64 141.4 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 125.291 1.436 . . . . 0.0 110.318 162.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.03 177.19 4.73 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.758 1.223 . . . . 0.0 113.24 172.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . 0.252 9.0 tp -47.59 -45.58 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 118.312 2.708 . . . . 0.0 118.312 -171.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.323 1.5 pm0 -74.81 -36.83 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -59.76 -43.26 94.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.93 -1.941 . . . . 0.0 111.391 168.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.63 -42.97 99.89 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.762 0.664 . . . . 0.0 111.255 170.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.55 -53.73 9.55 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.499 1.047 . . . . 0.0 111.681 166.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.39 -30.87 69.86 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 mt -72.9 -60.67 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.027 0.531 . . . . 0.0 109.569 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -4.85 6.64 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 -176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.64 -66.69 0.27 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.558 1.943 . . . . 0.0 114.29 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.05 71.73 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 18.6 p -89.95 47.74 1.49 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.83 1.652 . . . . 0.0 113.408 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.06 -128.22 40.26 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 126.237 1.875 . . . . 0.0 115.853 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.899 0 O-C-N 119.751 -2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 101.97 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.154 1 C-N-CA 153.609 12.764 . . . . 0.0 113.649 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -15.92 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 128.222 2.609 . . . . 0.0 116.803 168.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 67.66 -62.21 0.34 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.069 1.748 . . . . 0.0 111.975 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.62 -43.07 99.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 112.259 173.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -50.85 -50.46 56.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.894 0.878 . . . . 0.0 112.444 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -56.48 -45.46 80.95 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.842 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.41 67.08 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 124.38 1.05 . . . . 0.0 112.635 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -60.16 -51.47 69.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.21 -44.3 75.26 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.06 -50.97 60.45 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 112.673 -2.058 . . . . 0.0 111.547 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 10.5 mmt180 -68.67 -35.13 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 111.635 -2.53 . . . . 0.0 116.399 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.43 -40.56 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.867 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -80.91 -40.41 24.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.247 2.219 . . . . 0.0 114.459 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -77.21 56.88 1.35 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.282 2.633 . . . . 0.0 113.172 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -51.34 64.65 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.736 177.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.34 10.01 0.68 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.71 38.46 29.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 166.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -100.88 -3.31 29.96 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.03 25.44 72.1 Favored Glycine 0 CA--C 1.544 1.856 0 C-N-CA 123.319 0.485 . . . . 0.0 112.909 -170.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' B' ' 20' ' ' TYR . 42.3 m-85 -140.59 176.71 8.57 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.087 1.355 . . . . 0.0 109.835 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.42 139.91 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.61 1.564 . . . . 0.0 109.626 164.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.37 176.76 4.89 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.747 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tp -48.7 -44.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 -173.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -68.03 -39.48 83.1 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 123.609 1.671 . . . . 0.0 115.484 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.85 -42.81 80.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.553 2.341 . . . . 0.0 111.685 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.2 tp -60.13 -42.81 95.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.523 0.729 . . . . 0.0 110.065 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.55 -51.61 16.34 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.84 1.209 . . . . 0.0 112.062 166.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.64 -32.6 70.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 26' ' ' LEU . 5.0 mt -74.54 -56.54 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.887 0.475 . . . . 0.0 110.342 171.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.81 -10.94 22.93 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HD3' ' H ' ' A' ' 34' ' ' GLY . 7.4 mmt-85 -55.72 92.63 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.421 152.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.33 47.29 1.13 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 124.876 2.274 . . . . 0.0 111.156 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.418 HG23 ' HD2' ' A' ' 31' ' ' ARG 0.358 30.4 m -18.7 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.694 -2.503 . . . . 0.0 115.743 -105.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' H ' ' HD3' ' A' ' 31' ' ' ARG . . . 84.33 -69.53 3.32 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 112.357 -2.201 . . . . 0.0 108.654 -161.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 O-C-N 120.681 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.5 ' HD3' ' HB2' ' B' ' 6' ' ' LEU 0.374 12.5 mtmt -85.51 -149.82 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 117.788 -3.07 . . . . 0.0 118.599 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t 69.72 67.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.796 1.638 . . . . 0.0 110.25 -127.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . 0.277 3.5 mp0 54.41 -24.96 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.496 1 N-CA-C 122.441 4.238 . . . . 0.0 122.441 170.005 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -50.05 -55.01 16.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.845 1.658 . . . . 0.0 113.698 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -51.6 61.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.481 0.712 . . . . 0.0 112.858 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.5 ' HB2' ' HD3' ' B' ' 1' ' ' LYS . 5.1 tp -61.81 -43.36 99.0 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.2 69.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.503 1.121 . . . . 0.0 112.574 174.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -64.3 -46.67 82.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.95 82.62 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -52.58 -49.8 64.27 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.039 -1.892 . . . . 0.0 111.336 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -63.06 -40.2 96.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 111.684 -2.507 . . . . 0.0 115.725 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.756 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -77.62 -39.33 45.69 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.462 1.905 . . . . 0.0 113.506 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.13 56.3 0.61 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.571 2.748 . . . . 0.0 111.89 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -47.81 -50.51 25.72 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 112.021 -2.354 . . . . 0.0 112.443 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -82.73 18.02 1.68 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 52.88 28.66 6.75 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 164.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -90.91 3.44 54.57 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.389 -1.732 . . . . 0.0 115.063 -174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.61 22.48 71.63 Favored Glycine 0 CA--C 1.544 1.906 0 C-N-CA 124.297 0.951 . . . . 0.0 113.074 -171.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.3 m-85 -141.76 171.43 14.07 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.109 1.364 . . . . 0.0 111.373 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.479 HG12 HD11 ' B' ' 29' ' ' ILE . 1.1 mp -115.64 141.4 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 125.291 1.436 . . . . 0.0 110.318 162.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -114.03 177.19 4.73 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.758 1.223 . . . . 0.0 113.24 172.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . 0.252 9.0 tp -47.59 -45.58 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 118.312 2.708 . . . . 0.0 118.312 -171.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.323 1.5 pm0 -74.81 -36.83 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 22' ' ' ASP . 70.3 mt-10 -59.76 -43.26 94.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.93 -1.941 . . . . 0.0 111.391 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.667 ' HA ' HD12 ' B' ' 29' ' ' ILE . 1.2 tp -62.63 -42.97 99.89 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.762 0.664 . . . . 0.0 111.255 170.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.55 -53.73 9.55 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.499 1.047 . . . . 0.0 111.681 166.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' B' ' 31' ' ' ARG . 36.1 mt-10 -60.39 -30.87 69.86 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' B' ' 26' ' ' LEU . 9.8 mt -72.9 -60.67 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.027 0.531 . . . . 0.0 109.569 168.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -4.85 6.64 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 -176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' B' ' 28' ' ' GLU . 0.4 OUTLIER -39.64 -66.69 0.27 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.558 1.943 . . . . 0.0 114.29 172.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.05 71.73 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 18.6 p -89.95 47.74 1.49 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.83 1.652 . . . . 0.0 113.408 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.06 -128.22 40.26 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 126.237 1.875 . . . . 0.0 115.853 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.899 0 O-C-N 119.751 -2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.26 101.97 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.154 1 C-N-CA 153.609 12.764 . . . . 0.0 113.649 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -15.92 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 128.222 2.609 . . . . 0.0 116.803 168.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 67.66 -62.21 0.34 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.069 1.748 . . . . 0.0 111.975 -172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.62 -43.07 99.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 112.259 173.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -50.85 -50.46 56.78 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.894 0.878 . . . . 0.0 112.444 171.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 tp -56.48 -45.46 80.95 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.842 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.41 67.08 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 124.38 1.05 . . . . 0.0 112.635 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -60.16 -51.47 69.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.21 -44.3 75.26 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.06 -50.97 60.45 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 112.673 -2.058 . . . . 0.0 111.547 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 10.5 mmt180 -68.67 -35.13 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 111.635 -2.53 . . . . 0.0 116.399 -177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.43 -40.56 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.867 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -80.91 -40.41 24.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.247 2.219 . . . . 0.0 114.459 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -77.21 56.88 1.35 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.282 2.633 . . . . 0.0 113.172 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -51.34 64.65 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.736 177.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.34 10.01 0.68 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 56.71 38.46 29.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 166.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -100.88 -3.31 29.96 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.834 1.79 . . . . 0.0 115.834 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.03 25.44 72.1 Favored Glycine 0 CA--C 1.544 1.856 0 C-N-CA 123.319 0.485 . . . . 0.0 112.909 -170.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' B' ' 20' ' ' TYR . 42.3 m-85 -140.59 176.71 8.57 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.087 1.355 . . . . 0.0 109.835 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.42 139.91 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.61 1.564 . . . . 0.0 109.626 164.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.37 176.76 4.89 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.747 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tp -48.7 -44.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 117.87 2.544 . . . . 0.0 117.87 -173.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -68.03 -39.48 83.1 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 123.609 1.671 . . . . 0.0 115.484 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.85 -42.81 80.79 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.553 2.341 . . . . 0.0 111.685 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.2 tp -60.13 -42.81 95.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.523 0.729 . . . . 0.0 110.065 168.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.55 -51.61 16.34 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.84 1.209 . . . . 0.0 112.062 166.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.64 -32.6 70.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 26' ' ' LEU . 5.0 mt -74.54 -56.54 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.887 0.475 . . . . 0.0 110.342 171.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.81 -10.94 22.93 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HD3' ' H ' ' A' ' 34' ' ' GLY . 7.4 mmt-85 -55.72 92.63 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.421 152.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.33 47.29 1.13 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 124.876 2.274 . . . . 0.0 111.156 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.418 HG23 ' HD2' ' A' ' 31' ' ' ARG 0.358 30.4 m -18.7 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.694 -2.503 . . . . 0.0 115.743 -105.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' H ' ' HD3' ' A' ' 31' ' ' ARG . . . 84.33 -69.53 3.32 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 112.357 -2.201 . . . . 0.0 108.654 -161.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 O-C-N 120.681 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.5 ' HD3' ' HB2' ' B' ' 6' ' ' LEU 0.374 12.5 mtmt -85.51 -149.82 0.13 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 117.788 -3.07 . . . . 0.0 118.599 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t 69.72 67.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.796 1.638 . . . . 0.0 110.25 -127.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . 0.277 3.5 mp0 54.41 -24.96 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.496 1 N-CA-C 122.441 4.238 . . . . 0.0 122.441 170.005 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -50.05 -55.01 16.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.845 1.658 . . . . 0.0 113.698 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -51.6 61.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.481 0.712 . . . . 0.0 112.858 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.5 ' HB2' ' HD3' ' B' ' 1' ' ' LYS . 5.1 tp -61.81 -43.36 99.0 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.2 69.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.503 1.121 . . . . 0.0 112.574 174.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -64.3 -46.67 82.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.95 82.62 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -52.58 -49.8 64.27 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.039 -1.892 . . . . 0.0 111.336 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -63.06 -40.2 96.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 111.684 -2.507 . . . . 0.0 115.725 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.756 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -77.62 -39.33 45.69 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.462 1.905 . . . . 0.0 113.506 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.13 56.3 0.61 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.571 2.748 . . . . 0.0 111.89 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -47.81 -50.51 25.72 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 112.021 -2.354 . . . . 0.0 112.443 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -82.73 18.02 1.68 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 52.88 28.66 6.75 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 164.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -90.91 3.44 54.57 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 113.389 -1.732 . . . . 0.0 115.063 -174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.61 22.48 71.63 Favored Glycine 0 CA--C 1.544 1.906 0 C-N-CA 124.297 0.951 . . . . 0.0 113.074 -171.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.3 m-85 -141.76 171.43 14.07 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.109 1.364 . . . . 0.0 111.373 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.479 HG12 HD11 ' B' ' 29' ' ' ILE . 1.1 mp -115.64 141.4 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 125.291 1.436 . . . . 0.0 110.318 162.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -114.03 177.19 4.73 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.758 1.223 . . . . 0.0 113.24 172.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . 0.252 9.0 tp -47.59 -45.58 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 118.312 2.708 . . . . 0.0 118.312 -171.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . 0.323 1.5 pm0 -74.81 -36.83 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 22' ' ' ASP . 70.3 mt-10 -59.76 -43.26 94.39 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.93 -1.941 . . . . 0.0 111.391 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.667 ' HA ' HD12 ' B' ' 29' ' ' ILE . 1.2 tp -62.63 -42.97 99.89 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.762 0.664 . . . . 0.0 111.255 170.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.55 -53.73 9.55 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.499 1.047 . . . . 0.0 111.681 166.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' B' ' 31' ' ' ARG . 36.1 mt-10 -60.39 -30.87 69.86 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' B' ' 26' ' ' LEU . 9.8 mt -72.9 -60.67 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.027 0.531 . . . . 0.0 109.569 168.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -4.85 6.64 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 -176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' B' ' 28' ' ' GLU . 0.4 OUTLIER -39.64 -66.69 0.27 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.558 1.943 . . . . 0.0 114.29 172.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.05 71.73 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 18.6 p -89.95 47.74 1.49 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.83 1.652 . . . . 0.0 113.408 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.06 -128.22 40.26 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 126.237 1.875 . . . . 0.0 115.853 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.899 0 O-C-N 119.751 -2.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_