data_2n28_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 2n28 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' MET . . . . . 0.43 ' H3 ' ' H ' ' A' ' 2' ' ' GLN . 14.8 mmt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.43 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 99.2 mm-40 -70.9 149.11 94.95 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -70.55 152.16 65.04 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.204 1.936 . . . . 0.0 111.862 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.8 tt -142.78 145.13 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.478 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -149.92 158.26 43.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.43 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.82 154.92 30.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -93.71 1.99 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.328 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.62 -41.68 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.71 82.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.254 0.55 . . . . 0.0 110.274 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.76 -46.67 88.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.979 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.12 -43.6 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.57 -42.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.768 0.794 . . . . 0.0 109.11 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.0 82.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.507 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.78 -40.32 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.45 -51.12 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.23 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.8 pt -60.98 -29.99 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.9 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.49 72.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -62.33 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.9 -47.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.292 0.567 . . . . 0.0 109.758 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.24 -44.53 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.663 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -79.81 -12.71 59.75 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.216 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t -60.81 -39.28 88.38 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.44 -43.23 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' GLU . 69.3 t -61.76 -49.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.316 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.59 -52.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.816 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 tt -71.75 -38.65 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.77 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 32' ' ' ILE . 53.1 tp10 -117.15 134.5 54.7 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.843 0.354 . . . . 0.0 110.355 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -75.98 142.82 41.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.1 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -62.59 -37.49 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.285 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 20.1 tt -134.28 119.62 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 110.482 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.611 ' C ' ' H ' ' A' ' 35' ' ' GLN . 87.8 mt -66.43 -41.19 89.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 61.87 -10.92 0.07 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' A' ' 33' ' ' LEU . 97.2 mt-30 -63.83 -37.82 88.82 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.71 -31.1 69.29 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.968 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.02 -38.92 84.09 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.688 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.684 HG23 HD11 ' A' ' 41' ' ' LEU . 96.9 mt -62.56 -39.33 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.133 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -15.33 43.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.053 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -83.19 -11.92 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 1.502 ' CD2' HH21 ' A' ' 44' ' ' ARG . 88.0 mt -51.73 -40.0 59.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.989 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.411 HG22 HD13 ' A' ' 42' ' ' ILE . 94.0 mt -60.18 -43.26 92.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.798 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.05 -39.73 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.749 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 1.502 HH21 ' CD2' ' A' ' 41' ' ' LEU . 84.3 mtm180 -62.75 -37.42 86.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.04 -44.19 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.78 -44.28 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.048 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.53 -41.43 97.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.536 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.48 -35.18 80.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 175.63 142.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -63.2 -42.64 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.77 110.72 21.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.183 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.2 p -68.57 159.19 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.643 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.93 36.86 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 m120 54.25 43.48 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.734 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -142.99 157.28 44.7 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.321 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -152.17 150.35 29.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 21.8 pm0 -145.66 157.52 43.95 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.714 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.99 -57.92 5.06 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -62.67 -40.33 96.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.323 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 61' ' ' SER . 10.5 tp -58.82 -41.64 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.824 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 60' ' ' ILE . 90.2 p -70.97 -15.44 62.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.25 85.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.049 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -83.96 -19.57 34.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.976 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.17 -44.81 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.273 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -37.47 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.779 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.1 mp -67.15 -39.62 86.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.652 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.78 -42.11 32.28 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.21 -43.68 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.661 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.68 -46.16 90.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.33 -44.48 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.03 146.53 41.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -64.71 -39.34 93.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.866 0.365 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -151.52 142.6 23.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.538 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.33 159.46 69.07 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.75 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -49.62 -38.06 44.56 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.61 1.54 . . . . 0.0 111.77 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -86.63 115.82 24.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.152 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 53.5 p-10 -84.2 -179.4 7.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.728 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.38 -25.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 36.7 t70 -86.47 107.52 18.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' OXT' ' A' ' 81' ' ' LEU . 55.4 p30 -83.93 2.08 40.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 ' OXT' ' O ' ' A' ' 80' ' ' ASP . 60.7 tp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.9 149.11 94.95 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -70.55 152.16 65.04 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.204 1.936 . . . . 0.0 111.862 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.8 tt -142.78 145.13 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.478 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -149.92 158.26 43.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.43 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.82 154.92 30.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -93.71 1.99 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.328 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.62 -41.68 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.71 82.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.254 0.55 . . . . 0.0 110.274 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.76 -46.67 88.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.979 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.12 -43.6 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.57 -42.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.768 0.794 . . . . 0.0 109.11 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.0 82.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.507 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.78 -40.32 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.45 -51.12 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.23 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.8 pt -60.98 -29.99 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.9 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.49 72.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -62.33 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.9 -47.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.292 0.567 . . . . 0.0 109.758 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 17' ' ' ILE . 53.1 t -62.24 -44.53 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.663 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -79.81 -12.71 59.75 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.216 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t -60.81 -39.28 88.38 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.44 -43.23 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' GLU . 69.3 t -61.76 -49.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.316 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.59 -52.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.816 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 28' ' ' GLU . 20.5 tt -71.75 -38.65 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.77 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 32' ' ' ILE . 53.1 tp10 -117.15 134.5 54.7 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.843 0.354 . . . . 0.0 110.355 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -75.98 142.82 41.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.1 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -62.59 -37.49 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.285 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 32' ' ' ILE . 20.1 tt -134.28 119.62 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 110.482 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 35' ' ' GLN . 87.8 mt -66.43 -41.19 89.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 61.87 -10.92 0.07 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.598 ' H ' ' C ' ' A' ' 33' ' ' LEU . 97.2 mt-30 -63.83 -37.82 88.82 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.71 -31.1 69.29 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.968 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.02 -38.92 84.09 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.688 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.574 HG23 HD12 ' A' ' 41' ' ' LEU . 96.9 mt -62.56 -39.33 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.133 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -15.33 43.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.053 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -83.19 -11.92 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.503 ' CD2' HH21 ' A' ' 44' ' ' ARG . 88.0 mt -51.73 -40.0 59.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.989 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.18 -43.26 92.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.798 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.05 -39.73 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.749 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 1.503 HH21 ' CD2' ' A' ' 41' ' ' LEU . 84.3 mtm180 -62.75 -37.42 86.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.04 -44.19 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.78 -44.28 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.048 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.53 -41.43 97.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.536 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 81.3 mtp180 -65.48 -35.18 80.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . 175.63 142.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -63.2 -42.64 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.77 110.72 21.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.183 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.2 p -68.57 159.19 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.643 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.93 36.86 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 m120 54.25 43.48 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.734 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -142.99 157.28 44.7 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.321 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -152.17 150.35 29.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 21.8 pm0 -145.66 157.52 43.95 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.714 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.99 -57.92 5.06 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 16.0 tm-20 -62.67 -40.33 96.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.323 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 61' ' ' SER . 10.5 tp -58.82 -41.64 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.824 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.533 ' N ' HG23 ' A' ' 60' ' ' ILE . 90.2 p -70.97 -15.44 62.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -65.94 -37.25 85.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.049 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -83.96 -19.57 34.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.976 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.17 -44.81 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.273 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -37.47 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.779 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.1 mp -67.15 -39.62 86.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.652 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.78 -42.11 32.28 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.21 -43.68 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.661 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.68 -46.16 90.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.33 -44.48 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.03 146.53 41.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -64.71 -39.34 93.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.866 0.365 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -151.52 142.6 23.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.538 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.33 159.46 69.07 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.75 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -49.62 -38.06 44.56 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.61 1.54 . . . . 0.0 111.77 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -86.63 115.82 24.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.152 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 53.5 p-10 -84.2 -179.4 7.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.728 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.38 -25.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 36.7 t70 -86.47 107.52 18.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' OXT' ' A' ' 81' ' ' LEU . 55.4 p30 -83.93 2.08 40.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.41 ' OXT' ' O ' ' A' ' 80' ' ' ASP . 60.7 tp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -70.9 149.11 94.95 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -70.55 152.16 65.04 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.204 1.936 . . . . 0.0 111.862 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.8 tt -142.78 145.13 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.478 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -149.92 158.26 43.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.43 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.526 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.82 154.92 30.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -93.71 1.99 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.328 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.62 -41.68 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.71 82.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.254 0.55 . . . . 0.0 110.274 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.76 -46.67 88.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.979 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.12 -43.6 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.57 -42.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.768 0.794 . . . . 0.0 109.11 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.44 -39.0 82.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.507 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.78 -40.32 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.45 -51.12 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.23 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.8 pt -60.98 -29.99 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.9 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.49 72.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mm -62.33 -44.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.9 -47.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.292 0.567 . . . . 0.0 109.758 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 17' ' ' ILE . 53.1 t -62.24 -44.53 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.663 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -79.81 -12.71 59.75 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.216 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t -60.81 -39.28 88.38 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.44 -43.23 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' GLU . 69.3 t -61.76 -49.42 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.316 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.59 -52.62 58.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.816 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 28' ' ' GLU . 20.5 tt -71.75 -38.65 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.77 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 32' ' ' ILE . 53.1 tp10 -117.15 134.5 54.7 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.843 0.354 . . . . 0.0 110.355 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -75.98 142.82 41.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.1 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -62.59 -37.49 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.285 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 32' ' ' ILE . 20.1 tt -134.28 119.62 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 110.482 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 35' ' ' GLN . 87.8 mt -66.43 -41.19 89.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 61.87 -10.92 0.07 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.598 ' H ' ' C ' ' A' ' 33' ' ' LEU . 97.2 mt-30 -63.83 -37.82 88.82 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -59.71 -31.1 69.29 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.968 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.02 -38.92 84.09 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.688 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.574 HG23 HD12 ' A' ' 41' ' ' LEU . 96.9 mt -62.56 -39.33 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.133 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -15.33 43.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.053 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -83.19 -11.92 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.503 ' CD2' HH21 ' A' ' 44' ' ' ARG . 88.0 mt -51.73 -40.0 59.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.989 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.18 -43.26 92.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.798 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.05 -39.73 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.749 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 1.503 HH21 ' CD2' ' A' ' 41' ' ' LEU . 84.3 mtm180 -62.75 -37.42 86.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.04 -44.19 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.78 -44.28 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.048 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.53 -41.43 97.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.536 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 81.3 mtp180 -65.48 -35.18 80.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . 175.63 142.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -63.2 -42.64 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.77 110.72 21.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.183 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.2 p -68.57 159.19 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.643 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.3 -163.93 36.86 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 m120 54.25 43.48 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.734 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -142.99 157.28 44.7 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.321 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 t -152.17 150.35 29.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 21.8 pm0 -145.66 157.52 43.95 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.714 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.99 -57.92 5.06 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 16.0 tm-20 -62.67 -40.33 96.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.323 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 61' ' ' SER . 10.5 tp -58.82 -41.64 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.824 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.533 ' N ' HG23 ' A' ' 60' ' ' ILE . 90.2 p -70.97 -15.44 62.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -65.94 -37.25 85.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.049 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.5 mt -83.96 -19.57 34.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.976 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.17 -44.81 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.273 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -37.47 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.779 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.1 mp -67.15 -39.62 86.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.652 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.78 -42.11 32.28 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.21 -43.68 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.661 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.68 -46.16 90.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.33 -44.48 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.03 146.53 41.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -64.71 -39.34 93.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.866 0.365 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -151.52 142.6 23.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.538 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.33 159.46 69.07 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.75 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -49.62 -38.06 44.56 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.61 1.54 . . . . 0.0 111.77 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -86.63 115.82 24.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.152 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' ASP . 53.5 p-10 -84.2 -179.4 7.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.728 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.38 -25.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 36.7 t70 -86.47 107.52 18.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' OXT' ' A' ' 81' ' ' LEU . 55.4 p30 -83.93 2.08 40.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.41 ' OXT' ' O ' ' A' ' 80' ' ' ASP . 60.7 tp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 stop_ save_