data_2lnq_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 2lnq _Structure_validation_residue.Date_analyzed 2016-10-07 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 core ' A' A ' 15' ' ' GLN . . . . . 0.622 ' H ' ' CG2' ' B' ' 24' ' ' VAL . 14.2 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 22' ' ' GLU . 11.4 ttmm -138.75 118.55 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.23 144.33 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.226 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -146.44 143.99 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.39 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -144.85 143.42 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.55 144.01 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.266 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.89 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.633 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -120.45 141.4 50.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 135.89 36.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -147.19 146.88 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.454 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -146.18 143.85 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.345 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.22 146.02 15.38 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 1.7 pt? -146.71 145.64 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 0.0 110.465 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 ttt -142.3 123.53 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.26 158.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.79 48.78 17.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.84 -126.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.59 144.89 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.518 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' B' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.28 138.11 46.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 144.31 31.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.196 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.74 144.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.672 ' CE2' ' CE1' ' C' ' 19' ' ' PHE . 1.2 p90 -146.46 144.94 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.354 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -145.61 144.77 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.32 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.8 136.09 50.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.486 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' LYS . 28.5 mt-10 -136.1 127.46 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -111.11 139.39 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.622 ' CG2' ' H ' ' A' ' 15' ' ' GLN . 5.3 m -128.96 21.86 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.33 157.46 27.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -79.47 72.92 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.592 ' N ' HD21 ' B' ' 27' ' ' ASN . 0.0 OUTLIER -80.06 171.64 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -82.68 -160.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.64 136.3 7.77 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.33 130.08 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.45 ' CD1' ' C ' ' B' ' 31' ' ' ILE . 1.2 pp -146.0 145.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.369 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.48 143.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.285 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.71 146.44 16.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.95 144.57 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.658 0.266 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.3 ptp -145.43 131.94 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' B' ' 37' ' ' GLY . 5.8 p -114.57 157.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.408 ' N ' ' CG2' ' B' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' D' ' 22' ' ' GLU . 30.4 tttp -128.1 116.88 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.422 HD11 ' H ' ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.27 144.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -145.96 143.04 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.324 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.754 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -144.92 143.76 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.275 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -145.64 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.31 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 156.1 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -143.03 128.26 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . 0.669 HD21 ' H ' ' D' ' 15' ' ' GLN . 6.7 t-20 -125.02 126.62 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.65 -58.45 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.17 0.17 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -156.98 127.68 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -84.75 125.43 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.58 -58.6 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.57 107.3 0.31 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.3 137.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -145.75 145.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.412 HG12 ' HB3' ' D' ' 34' ' ' LEU . 32.9 mt -143.63 141.11 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.99 145.1 13.51 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.4 145.4 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.685 0.279 . . . . 0.0 110.427 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -144.38 137.99 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.92 150.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.669 ' H ' HD21 ' C' ' 23' ' ' ASN . 35.1 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.483 ' NZ ' ' CB ' ' D' ' 16' ' ' LYS . 8.2 mtpm? -117.31 128.97 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 tt -143.89 144.39 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.68 142.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 3.8 t80 -144.84 143.26 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.701 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 20.4 m-85 -144.56 143.43 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.251 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.85 151.35 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 16' ' ' LYS . 36.8 mt-10 -145.68 127.05 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.54 145.73 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.97 61.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.48 -95.17 0.14 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -160.44 145.63 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' D' ' 28' ' ' LYS . 6.6 t-20 -123.28 -169.87 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.535 ' H ' ' CG ' ' D' ' 27' ' ' ASN . 32.7 ttpt -163.52 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -156.56 102.54 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.94 145.53 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -145.65 145.1 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -143.85 141.77 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.123 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.2 144.59 13.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.412 ' HB3' HG12 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -144.69 143.4 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptm -144.53 138.39 27.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.2 t -108.69 149.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.77 116.68 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.94 144.24 31.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.177 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.84 143.71 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' F' ' 19' ' ' PHE . 21.1 p90 -147.27 146.03 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.526 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -146.05 145.5 30.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.348 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.24 51.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -131.67 126.78 35.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -110.36 138.22 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -74.44 -63.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.48 -109.4 3.36 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -115.0 -168.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -168.13 170.7 10.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -81.64 -54.61 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.99 113.36 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.33 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.78 145.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.413 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -143.6 141.46 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.062 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 145.13 13.59 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.02 144.73 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ptm -144.82 124.92 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.4 147.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -105.65 140.04 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.624 ' N ' ' CD2' ' F' ' 17' ' ' LEU . 0.8 OUTLIER -144.02 144.05 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.192 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -145.23 143.21 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.637 ' CE2' ' CD2' ' E' ' 19' ' ' PHE . 2.0 t80 -142.46 140.3 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.5 t80 -144.42 143.07 30.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.268 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.573 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -136.42 150.31 48.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -133.08 142.1 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . 0.658 ' ND2' HD21 ' F' ' 27' ' ' ASN . 28.5 m120 -123.01 139.81 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.14 -39.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.22 -97.1 0.11 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -79.27 151.81 30.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.658 HD21 ' ND2' ' F' ' 23' ' ' ASN . 64.5 t-20 -163.5 144.08 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' F' ' 27' ' ' ASN . 12.6 ptpt -167.17 129.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.49 1.68 53.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 128.04 42.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 tt -146.39 145.84 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -146.54 144.2 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 146.09 15.54 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.8 144.75 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.8 OUTLIER -140.97 137.12 32.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.523 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.65 147.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -109.58 132.32 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.592 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.95 143.96 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.165 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.6 143.68 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -147.08 145.21 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.482 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.7 p90 -145.89 145.67 30.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.319 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.09 157.83 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -144.78 127.11 15.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -107.13 140.25 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.47 -19.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.32 -77.44 0.19 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.9 p -56.83 115.17 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.48 152.36 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.09 -61.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -174.43 114.29 0.5 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 142.19 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 pt -145.24 145.07 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.345 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -144.26 141.95 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.32 145.13 13.48 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.51 146.82 29.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.72 137.13 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 m -109.94 147.72 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -137.99 133.16 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.21 144.03 31.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.199 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t -147.73 144.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -144.84 144.0 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.238 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -145.79 144.31 30.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.295 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.41 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -144.92 130.52 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -121.2 132.1 54.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' G' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.67 145.28 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.53 146.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.6 143.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 145.36 14.18 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.39 143.75 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 32.2 ttm -144.26 134.53 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.52 141.68 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.74 91.28 0.25 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.54 126.51 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.65 143.63 31.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.132 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -146.86 143.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -145.72 144.65 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -145.27 144.35 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 153.22 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -139.4 145.36 38.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -146.95 146.7 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.451 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -145.63 143.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.273 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.8 15.0 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.02 143.4 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 mtt -145.11 137.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.04 136.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 49.39 79.02 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -68.4 -142.67 0.1 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.81 157.65 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.578 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 128.16 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.43 HD11 ' H ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.14 144.26 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.223 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.84 143.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' B' ' 32' ' ' ILE . 15.6 p90 -146.07 144.85 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.334 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -145.33 144.54 30.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.298 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.28 157.38 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.341 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -134.95 144.01 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -93.43 136.72 33.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 68.1 t -149.11 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.18 -105.0 0.85 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -170.33 82.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' N ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -76.3 -162.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.67 ' N ' HD21 ' B' ' 27' ' ' ASN . 13.7 ptmt -142.07 -8.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 159.68 104.67 0.2 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.66 144.0 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.16 145.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' CZ ' ' B' ' 19' ' ' PHE . 4.9 mp -144.3 142.18 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.251 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.37 144.88 13.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 147.5 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.19 139.14 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.495 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.37 138.28 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -119.41 141.74 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.75 144.0 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.216 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -145.0 142.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.599 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.2 t80 -142.19 140.07 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' C' ' 21' ' ' ALA . 6.2 t80 -144.8 143.44 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.264 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.563 ' N ' ' CD1' ' C' ' 20' ' ' PHE . . . -138.27 153.2 49.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -139.22 128.47 24.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -93.77 121.75 35.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.01 -30.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.93 78.79 1.32 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.9 m -161.08 -109.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -79.77 -162.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -155.79 137.77 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.95 60.77 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.11 140.81 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 pt -145.48 144.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -146.0 143.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.432 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.66 14.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 145.54 30.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.36 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -145.37 151.22 37.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -90.89 117.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -107.72 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.25 144.41 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.64 144.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 4.7 p90 -145.81 144.35 30.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -145.92 145.19 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.401 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.88 146.64 46.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.547 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -135.01 127.19 29.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -105.87 140.19 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.53 -31.52 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.83 38.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 p -177.84 139.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -176.77 110.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -58.53 -23.95 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . 159.08 152.87 6.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' H ' ' C' ' 37' ' ' GLY . . . -142.74 145.9 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.15 143.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.298 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -143.14 141.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.15 145.17 13.61 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.85 145.19 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 110.341 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -136.66 122.68 20.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' D' ' 37' ' ' GLY . 99.4 t -100.38 158.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.401 ' N ' ' CG1' ' D' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -130.44 141.37 50.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.437 HD21 ' N ' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -143.89 144.38 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.206 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -145.73 142.86 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 110.347 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -144.82 143.52 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.327 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' E' ' 21' ' ' ALA . 6.9 t80 -144.89 143.54 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.219 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CE1' ' E' ' 20' ' ' PHE . . . -130.65 146.63 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.57 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -142.46 131.84 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.71 136.94 55.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -77.81 -17.33 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.57 -173.61 25.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 128.08 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.416 HD21 ' N ' ' E' ' 29' ' ' GLY . 4.4 t30 -89.75 158.13 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -71.49 -58.19 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.416 ' N ' HD21 ' E' ' 27' ' ' ASN . . . -162.53 72.9 0.2 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 140.15 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -146.13 145.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.594 ' CD1' ' N ' ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.44 145.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.511 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.402 ' C ' ' CD2' ' E' ' 34' ' ' LEU . . . -146.69 145.74 14.93 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -146.81 145.73 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 110.441 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -144.27 144.78 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.47 117.82 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.599 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -105.8 119.28 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.403 ' H ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.01 144.33 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.193 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.19 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.491 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 17.2 p90 -146.09 144.92 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' F' ' 20' ' ' PHE . 29.1 p90 -145.64 145.05 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.413 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.19 42.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -136.89 126.88 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -93.57 146.26 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -143.89 37.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.13 151.15 25.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 71.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -128.33 174.78 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -144.98 -147.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -79.36 149.86 32.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.22 37.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.601 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.99 144.96 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.72 141.5 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 145.95 15.19 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.03 144.61 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 110.321 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.5 ptp -144.75 128.47 17.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.5 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -98.51 148.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' G' ' 15' ' ' GLN . 1.9 mp0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -105.98 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.92 144.15 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.213 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.66 143.99 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -144.83 143.59 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.299 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' G' ' 21' ' ' ALA . 10.0 t80 -145.09 143.56 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.213 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' G' ' 20' ' ' PHE . . . -125.38 142.66 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.566 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' H' ' 16' ' ' LYS . 25.2 tt0 -130.14 127.25 39.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . 0.466 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 6.1 m-80 -120.79 126.14 49.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.98 -54.1 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 66.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -161.16 167.52 26.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 56.01 171.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -152.54 154.06 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . 75.77 94.44 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.44 138.23 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.03 144.77 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.349 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -143.55 141.13 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -146.59 144.75 13.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.1 OUTLIER -145.88 144.9 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 0.0 110.427 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.5 tmt? -144.36 126.5 15.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -122.14 117.83 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.466 ' NE2' ' OD1' ' G' ' 23' ' ' ASN . 67.9 mt-30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' G' ' 22' ' ' GLU . 2.8 tptp -138.03 126.04 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.4 31.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.175 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -146.43 144.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 30.5 p90 -144.64 143.09 30.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.336 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -145.34 143.94 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.247 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.33 140.04 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -141.22 133.3 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' H' ' 24' ' ' VAL . 41.2 t-20 -106.75 145.62 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' H' ' 23' ' ' ASN . 11.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.03 131.87 41.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 17.6 pt -146.29 145.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 pt -145.96 143.51 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.71 145.82 15.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.23 143.72 30.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 12.4 tpt -144.77 124.77 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.558 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 m -113.33 152.4 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.37 33.53 68.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 3.5 mp0 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -120.54 115.46 23.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.16 144.25 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.262 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -146.81 143.83 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.397 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -145.11 144.27 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -145.14 143.68 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.255 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.19 158.21 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -129.87 130.77 45.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.56 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 tt -146.88 146.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.414 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.88 143.95 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.27 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.85 145.7 14.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.3 143.92 30.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 tpt -143.83 136.11 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.7 m -131.28 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.06 -9.66 70.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.4 129.37 10.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -85.97 141.07 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.588 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.467 ' OE1' ' ND2' ' C' ' 23' ' ' ASN . 81.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.426 ' H ' ' H ' ' B' ' 15' ' ' GLN . 40.8 tttp -138.43 122.48 17.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 144.38 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.216 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.22 144.4 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.6 OUTLIER -146.78 145.39 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.424 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.511 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 1.2 p90 -145.39 144.79 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.379 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 128.73 44.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -119.21 128.77 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' B' ' 23' ' ' ASN . 1.5 m-20 -95.92 138.15 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.47 -31.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.55 -91.62 2.04 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -152.84 175.77 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -152.06 176.2 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -153.16 -27.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.09 120.17 0.83 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.08 144.2 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 tt -146.2 145.5 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.98 142.13 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.198 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.83 12.05 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.69 146.84 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.504 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.66 144.82 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.45 140.53 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 18.2 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -105.5 132.99 50.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' C' ' 17' ' ' LEU . 1.5 pt? -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.226 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -146.08 143.49 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.392 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.11 143.52 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.293 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.6 p90 -145.85 144.96 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.24 141.49 52.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.05 134.18 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . 0.467 ' ND2' ' OE1' ' B' ' 15' ' ' GLN . 33.4 t30 -105.54 128.44 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.27 -77.21 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.578 ' H ' ' NE2' ' D' ' 15' ' ' GLN . . . -79.52 -87.83 0.52 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -169.48 122.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -80.94 -179.79 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -158.63 44.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 90.51 1.26 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.02 145.22 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -145.07 144.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.63 141.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.31 144.55 12.93 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.41 145.19 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptp -144.94 140.3 28.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -102.87 143.6 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.578 ' NE2' ' H ' ' C' ' 25' ' ' GLY . 73.0 mt-30 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.46 ' HB3' ' HZ2' ' D' ' 16' ' ' LYS . 4.8 ttpm? -135.37 136.22 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.429 ' H ' HD13 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -143.86 143.45 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.12 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -147.72 144.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 25.0 p90 -145.97 145.04 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.2 p90 -145.5 144.8 30.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.279 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.56 158.53 31.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -141.11 126.92 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -104.63 141.35 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -139.98 -13.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.88 -93.28 0.67 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.8 m -91.58 179.99 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' D' ' 29' ' ' GLY . 55.8 m-20 -136.25 -46.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttm 54.05 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' D' ' 27' ' ' ASN . . . 177.21 102.17 0.15 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.86 143.74 27.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 tt -145.83 145.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -143.58 141.25 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.098 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.61 14.53 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' D' ' 34' ' ' LEU . 0.9 OUTLIER -146.23 145.19 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' D' ' 35' ' ' MET . 12.9 tmm? -144.2 132.78 22.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.42 156.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' F' ' 22' ' ' GLU . 52.5 tttm -132.91 143.07 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.74 144.14 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.188 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.63 143.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.365 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.36 144.62 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.316 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 2.4 p90 -145.53 144.22 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.342 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.56 142.23 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -129.37 126.7 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' D' ' 15' ' ' GLN . 1.7 m-20 -100.0 123.2 43.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.607 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 m -95.99 137.22 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.76 -115.11 3.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -95.73 177.85 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' E' ' 28' ' ' LYS . 2.9 t30 -163.41 174.22 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.671 ' H ' ' ND2' ' E' ' 27' ' ' ASN . 32.3 mttp -132.13 -132.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . -91.16 123.09 6.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 145.28 34.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.43 144.38 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.38 142.16 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 144.73 13.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -145.17 144.03 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -144.49 136.87 26.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -111.0 123.25 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -106.14 130.22 54.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.421 HD12 ' H ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.96 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.12 144.42 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 9.4 p90 -145.72 144.52 30.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.334 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.06 144.3 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.48 158.89 23.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' E' ' 16' ' ' LYS . 13.3 tt0 -135.5 144.75 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -125.91 145.88 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.8 2.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.14 -97.85 0.13 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -145.54 174.87 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -166.86 158.83 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -75.85 -50.63 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 176.31 133.72 1.83 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.0 141.92 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 tt -145.87 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -143.23 141.07 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.066 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.43 144.62 12.98 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.55 144.31 30.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.638 0.256 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.6 ptm -145.26 134.6 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 110.519 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.52 158.06 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -137.97 131.89 31.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.421 HD22 ' N ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -144.18 144.38 31.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.191 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -146.25 143.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.98 144.31 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.329 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 23.1 p90 -145.92 145.24 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.397 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 138.29 48.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.25 126.63 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.34 126.25 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -149.53 33.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.24 -88.86 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . 0.624 ' HG ' ' H ' ' G' ' 27' ' ' ASN . 31.7 p -172.64 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.624 ' H ' ' HG ' ' G' ' 26' ' ' SER . 16.6 m120 59.52 -178.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -168.86 117.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 60.1 4.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 141.96 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.99 145.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.3 141.08 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.05 145.16 13.61 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 2.1 mp -145.32 144.46 30.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptm -143.67 125.14 14.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -144.26 139.82 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -138.05 120.8 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.427 HD13 ' H ' ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.2 144.34 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.207 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.82 144.22 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 28.4 p90 -144.66 143.28 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -145.29 144.03 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.81 146.5 50.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -116.8 128.78 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -108.41 122.4 46.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 120.91 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.54 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -146.15 145.33 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.383 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.75 143.28 21.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.24 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.79 145.77 14.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.58 ' N ' ' CD2' ' H' ' 34' ' ' LEU . 1.5 pt? -146.15 144.75 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.261 . . . . 0.0 110.446 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 27.9 mtt -144.64 131.4 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.28 150.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.55 34.88 91.14 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' B' ' 22' ' ' GLU . 85.5 mttt -133.95 126.93 31.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 144.61 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.258 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.21 143.99 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.724 0.297 . . . . 0.0 110.432 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -145.69 145.09 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -145.38 143.93 30.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.262 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.29 133.46 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -117.52 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 137.0 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -146.18 145.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.396 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.39 142.85 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.213 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.97 15.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.94 143.38 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -143.5 131.06 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.545 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.38 142.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.07 77.69 0.83 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -75.24 -153.37 3.81 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.97 151.77 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -138.21 123.46 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.12 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.192 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.39 144.27 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 24.8 p90 -147.93 146.5 29.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.3 p90 -145.75 145.68 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 154.72 35.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' LYS . 29.3 tt0 -145.51 144.36 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.528 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . 0.525 ' N ' HD21 ' B' ' 23' ' ' ASN . 0.0 OUTLIER -124.88 133.44 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.75 -15.82 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 26' ' ' SER . . . 166.79 44.21 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 25' ' ' GLY . 40.7 m -169.96 122.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -155.95 55.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -47.27 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -158.29 96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 142.14 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -146.12 145.61 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -143.26 141.23 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.6 144.5 12.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.75 148.02 30.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ptp -129.13 136.92 50.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.26 135.12 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 25.8 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -109.16 143.14 38.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.99 144.41 31.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.22 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.91 143.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 5.6 t80 -144.66 142.51 30.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.174 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 3.5 p90 -146.65 145.93 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.97 158.27 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' D' ' 16' ' ' LYS . 13.4 mm-40 -139.68 127.45 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . 0.648 HD21 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -122.13 130.31 53.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 t -67.66 -15.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.19 1.38 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -162.94 90.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.523 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.78 -178.15 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -172.28 34.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . 84.47 95.37 0.68 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.58 145.32 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -145.27 144.57 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.343 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -144.2 142.01 24.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.181 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 144.68 13.0 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.14 145.02 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.668 0.271 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptp -145.37 136.54 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' C' ' 37' ' ' GLY . 54.8 t -107.32 158.07 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.452 ' N ' ' CG1' ' C' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.47 ' H ' ' NE2' ' D' ' 15' ' ' GLN . 11.6 mp0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' C' ' 22' ' ' GLU . 74.7 mttt -136.55 123.57 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.412 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.58 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.228 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HD1' ' C' ' 19' ' ' PHE . 97.9 t -147.12 143.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 1.3 p90 -146.5 145.63 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.31 145.95 30.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.93 158.37 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.483 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -142.04 127.0 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -120.22 126.86 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.24 -30.01 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.54 -37.79 0.18 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -82.38 151.04 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.656 HD22 HD22 ' F' ' 27' ' ' ASN . 0.8 OUTLIER -173.28 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -77.88 -50.38 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 121.78 0.82 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.72 143.29 51.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 pt -145.72 145.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.421 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -143.94 141.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.158 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.5 144.78 13.17 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.21 145.16 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 110.449 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.4 ptm -144.55 135.89 25.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.43 117.69 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' F' ' 27' ' ' ASN . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -137.92 142.91 40.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -144.18 144.61 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -145.97 142.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.251 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 145.33 30.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.539 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 13.1 p90 -145.35 144.17 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.246 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 153.03 39.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.42 132.46 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -126.15 121.9 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.23 -73.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.63 -98.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.0 m -161.36 148.31 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -140.86 159.61 41.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -165.9 135.47 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.87 61.91 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.72 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.78 145.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.371 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.64 146.77 16.85 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -146.42 145.61 30.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.345 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 6.2 ptp -144.07 149.44 36.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.55 158.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -116.49 128.96 55.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.01 143.83 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.166 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.9 144.19 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 15.1 p90 -145.33 143.92 30.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.299 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 8.4 p90 -146.02 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.377 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 158.45 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.96 126.8 17.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.59 132.24 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -84.76 -36.56 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 58.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.505 ' HG ' ' N ' ' F' ' 27' ' ' ASN . 2.6 t 174.68 173.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.656 HD22 HD22 ' D' ' 27' ' ' ASN . 22.9 m120 56.65 155.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -165.75 84.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 171.57 85.12 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.35 145.6 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -145.25 144.42 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -143.96 141.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.204 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.98 144.81 13.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' F' ' 34' ' ' LEU . 0.1 OUTLIER -145.86 145.27 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.374 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -136.02 123.14 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.463 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 26.6 t -80.56 153.82 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -106.71 142.52 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.86 143.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.141 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.77 144.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.63 144.91 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.429 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 17.6 p90 -145.56 144.83 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.268 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.94 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.576 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -144.47 126.39 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -125.76 136.96 53.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.8 -11.52 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -179.68 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . 0.433 ' O ' ' O ' ' G' ' 25' ' ' GLY . 10.3 t 48.92 100.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.25 -46.77 72.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -47.42 157.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -85.2 115.54 4.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 145.09 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.94 144.89 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.368 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.415 ' CD1' ' CZ ' ' G' ' 19' ' ' PHE . 2.1 pp -146.33 144.03 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.417 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.42 146.54 16.42 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 1.4 mp -144.68 143.26 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.481 ' O ' ' O ' ' H' ' 31' ' ' ILE . 1.4 ptp -144.97 133.4 21.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 23.8 m -122.0 158.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -138.07 119.75 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.62 ' N ' ' CD2' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -144.51 144.13 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.186 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' G' ' 20' ' ' PHE . 11.5 t -147.66 145.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.614 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.95 142.68 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.199 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -145.16 143.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.29 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.21 153.63 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.68 137.35 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.56 127.62 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.54 144.53 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 110.525 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' G' ' 35' ' ' MET . 20.1 tt -146.74 145.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.74 144.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.78 145.51 14.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.38 145.11 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.7 mtt -144.27 125.44 14.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' H' ' 37' ' ' GLY . 12.2 t -93.64 139.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' H' ' 36' ' ' VAL . . . 59.33 125.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 22' ' ' GLU . 77.4 tttt -117.21 116.81 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 144.54 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.194 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.74 144.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.747 0.308 . . . . 0.0 110.502 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 29.8 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.299 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -145.21 143.86 30.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.343 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.12 158.18 41.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.601 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -124.71 129.51 50.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 10.8 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 140.56 30.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 35' ' ' MET . 12.5 tt -146.37 145.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.342 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 pt -146.01 143.86 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.318 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.07 145.91 15.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' C ' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -145.96 144.51 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.651 0.262 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 34' ' ' LEU . 4.2 mpp? -144.05 121.96 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.69 134.53 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . 72.44 38.59 57.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -44.81 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -98.1 128.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.532 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.52 ' CD ' ' H ' ' B' ' 15' ' ' GLN . 3.2 mp0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -117.49 122.08 42.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' B' ' 17' ' ' LEU . 1.2 tt -143.79 143.87 31.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.209 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -146.32 143.51 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.727 0.299 . . . . 0.0 110.329 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' CE2' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 144.88 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.517 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -144.29 142.99 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.13 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 140.7 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' LYS . 54.5 mm-40 -133.28 131.01 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -125.57 133.62 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -82.17 -28.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.73 121.32 0.56 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -163.14 164.36 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.98 68.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -144.11 171.39 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -69.36 112.56 4.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 135.57 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -145.93 144.83 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -146.27 143.38 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.312 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.9 147.46 18.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' B' ' 34' ' ' LEU . 1.1 mp -144.9 143.31 30.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' ILE . 14.5 ptm -146.24 132.18 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.66 158.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 22' ' ' GLU . 45.2 mttp -122.56 116.35 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.401 ' H ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.34 144.39 31.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 m -146.92 144.33 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.511 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' B' ' 19' ' ' PHE . 18.4 p90 -145.07 143.89 30.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.293 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 3.2 p90 -145.52 144.58 30.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.323 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.34 151.27 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -145.26 130.98 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' C' ' 23' ' ' ASN . 15.2 p-10 -123.62 123.27 40.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.48 -36.4 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.31 41.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.0 p -94.41 -94.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.528 ' C ' HD21 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -154.75 -172.65 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.75 -140.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.74 69.86 1.33 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 145.01 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.55 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -145.85 145.54 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -143.7 141.45 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.111 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.12 144.41 12.81 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.76 144.58 30.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.629 0.252 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.46 126.12 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.492 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.82 157.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -131.47 139.9 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.92 144.4 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.205 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CZ ' ' D' ' 20' ' ' PHE . 77.2 t -146.02 143.01 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.707 0.289 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -145.89 144.72 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.429 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' D' ' 19' ' ' PHE . 31.4 m-85 -144.58 143.56 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.219 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.14 158.58 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 16' ' ' LYS . 26.6 mt-10 -141.79 129.69 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -123.88 129.17 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.62 -38.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 -106.03 0.9 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.4 m -130.55 -176.63 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.529 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.622 ' C ' ' H ' ' D' ' 29' ' ' GLY . 5.9 m120 -156.26 -64.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm 67.3 -35.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' D' ' 27' ' ' ASN . . . -162.78 101.71 0.19 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.69 132.84 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 pt -145.39 144.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.373 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -144.02 141.7 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.424 ' C ' ' CD2' ' D' ' 34' ' ' LEU . . . -147.28 144.58 12.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' D' ' 34' ' ' LEU . 0.1 OUTLIER -146.54 146.44 30.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.463 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -135.85 140.95 44.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.25 158.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.95 132.31 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.425 HD11 ' H ' ' E' ' 17' ' ' LEU . 0.3 OUTLIER -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.219 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.64 143.24 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.347 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 19.7 p90 -146.7 145.65 30.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -145.99 145.54 30.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.373 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.13 157.91 22.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -145.2 141.92 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . 0.655 HD21 ' N ' ' E' ' 23' ' ' ASN . 0.7 OUTLIER -96.23 124.66 40.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -87.42 -10.54 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.31 -90.08 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -157.58 54.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 110.579 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.437 HD22 ' H ' ' F' ' 15' ' ' GLN . 57.9 m-80 -75.64 171.74 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -168.91 89.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . 153.2 87.71 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.4 34.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.38 144.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.401 HG23 ' CE2' ' E' ' 19' ' ' PHE . 2.2 mp -144.44 142.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.238 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.69 144.85 13.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 144.54 30.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.642 0.258 . . . . 0.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.2 OUTLIER -138.94 122.03 16.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -120.46 150.96 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.719 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.437 ' H ' HD22 ' E' ' 27' ' ' ASN . 33.7 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -129.67 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.99 144.3 31.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -145.26 142.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.718 0.294 . . . . 0.0 110.289 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -145.06 143.78 30.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.286 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.2 t80 -145.03 143.76 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -131.11 140.17 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.545 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.0 129.74 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -125.51 144.6 50.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.79 -73.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.34 -92.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -153.82 139.08 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.73 149.42 26.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -173.48 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 27.16 68.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.36 140.76 36.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.613 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 tt -145.96 145.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.305 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pp -146.13 143.85 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.33 145.36 14.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.411 HD13 ' H ' ' F' ' 34' ' ' LEU . 0.2 OUTLIER -146.44 144.96 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptp -145.53 148.07 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -110.43 128.74 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' H' ' 22' ' ' GLU . 49.4 mttp -130.28 139.54 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.623 ' N ' ' CD1' ' G' ' 17' ' ' LEU . 0.0 OUTLIER -143.24 143.35 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.078 179.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.04 144.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' F' ' 19' ' ' PHE . 25.5 p90 -146.22 144.83 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.71 145.29 30.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.9 148.65 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -125.99 139.63 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -93.22 128.57 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.9 -30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.5 -85.77 0.92 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 14.8 t -168.67 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 5.3 m-20 48.05 -163.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -162.36 -26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -164.52 129.78 2.05 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.25 143.55 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.4 tt -146.45 146.1 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.361 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mp -144.36 142.59 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.42 144.9 13.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' G' ' 34' ' ' LEU . 0.7 OUTLIER -145.32 143.53 30.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.242 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.9 ptp -146.04 136.49 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -94.36 149.64 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.509 ' NE2' ' OD1' ' G' ' 27' ' ' ASN . 7.7 tp-100 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -138.16 136.22 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' H' ' 17' ' ' LEU . 1.4 pt? -144.02 143.95 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.201 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.51 143.61 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.32 . . . . 0.0 110.342 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -145.36 144.14 30.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.333 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -145.04 143.92 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.237 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.51 150.23 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' G' ' 16' ' ' LYS . 28.5 tt0 -117.17 130.18 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.91 146.8 47.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.92 143.55 27.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.33 145.74 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.59 143.29 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.52 145.18 13.81 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.459 ' C ' ' SD ' ' H' ' 35' ' ' MET . 0.2 OUTLIER -145.34 143.87 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -142.48 137.38 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 110.521 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.6 t -110.54 140.38 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 77.21 26.01 62.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -137.66 120.3 16.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 143.7 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.134 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.53 143.65 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.28 144.19 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -145.52 144.44 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.342 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 147.34 33.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -145.24 150.84 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.697 HD21 ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.622 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 141.66 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.548 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.23 146.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.358 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mp -144.18 142.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.165 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.47 144.78 13.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.02 144.97 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.694 0.283 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -142.78 145.24 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.583 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.29 119.74 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.85 -67.2 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.22 -139.99 1.06 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.54 136.48 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.586 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -116.62 132.13 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' B' ' 17' ' ' LEU . 1.4 pt? -144.05 143.92 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.169 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.62 144.74 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -146.25 145.05 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 3.3 p90 -145.77 145.23 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.393 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.56 142.96 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -130.21 126.51 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 15' ' ' GLN . 17.0 m120 -95.51 126.73 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.31 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.06 -167.97 27.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.7 p -47.53 125.14 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -145.81 159.76 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.15 -168.66 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.19 118.92 5.64 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.27 144.96 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.588 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -145.86 144.87 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.37 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.77 141.75 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.7 145.31 14.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.66 144.2 30.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.0 ptm -144.83 129.35 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' B' ' 37' ' ' GLY . 12.6 p -90.96 157.9 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.522 HE22 ' N ' ' D' ' 25' ' ' GLY . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -105.93 117.97 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' C' ' 17' ' ' LEU . 1.5 pt? -143.75 143.51 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.161 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -146.95 144.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.04 143.41 30.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.218 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -146.49 145.74 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.429 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.15 150.7 42.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -145.36 128.83 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . 0.594 HD21 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -125.85 129.61 49.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 m -86.39 -33.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.428 ' O ' ' OG ' ' C' ' 26' ' ' SER . . . 155.73 96.83 0.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' C' ' 25' ' ' GLY . 6.4 m -166.97 -144.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.487 ' O ' ' NE2' ' D' ' 15' ' ' GLN . 22.4 m120 -57.87 154.97 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' C' ' 30' ' ' ALA . 53.5 mtpt -112.47 -40.44 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . -53.24 85.38 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -142.27 145.34 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tt -145.82 145.61 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -143.93 141.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.76 144.17 12.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.672 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -145.24 143.71 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.5 ptm -145.71 142.04 28.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -128.29 146.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 27' ' ' ASN . 81.9 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -130.21 129.98 44.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.432 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.76 143.54 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -147.77 144.68 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 13.6 p90 -146.09 144.97 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.435 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.2 144.19 51.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.464 ' C ' HD21 ' D' ' 23' ' ' ASN . 59.4 tt0 -135.26 140.9 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . 0.501 ' N ' HD21 ' D' ' 23' ' ' ASN . 1.0 OUTLIER -112.89 146.97 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.35 -14.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.522 ' N ' HE22 ' C' ' 15' ' ' GLN . . . -105.61 -57.66 0.66 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -161.97 151.89 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.576 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -87.66 142.24 27.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -147.19 172.95 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.41 117.49 7.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.7 144.68 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 tt -146.0 145.54 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.01 140.79 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.98 145.17 13.65 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.95 144.77 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 128.63 17.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.442 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.19 142.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' F' ' 22' ' ' GLU . 2.9 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' F' ' 22' ' ' GLU . 30.7 mttm -135.12 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.93 144.03 31.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.08 144.28 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.45 144.65 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 33.4 p90 -145.16 143.91 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.234 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.72 152.61 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -144.94 127.27 15.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.7 136.07 53.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.42 ' H ' ' NE2' ' F' ' 15' ' ' GLN . 60.5 t -85.19 -35.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.626 ' H ' ' NE2' ' F' ' 15' ' ' GLN . . . 172.55 -89.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 31.5 t 54.79 -118.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.623 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.435 ' N ' ' OG ' ' E' ' 26' ' ' SER . 72.8 m-80 -151.47 -165.85 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -81.98 -149.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.35 56.21 24.79 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.01 124.71 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -146.28 146.12 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.46 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -145.92 143.39 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.4 145.32 14.14 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -144.64 143.13 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 13.0 ptm -145.73 127.68 15.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 12.7 p -100.33 145.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.626 ' NE2' ' H ' ' E' ' 25' ' ' GLY . 58.6 mt-30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -124.54 117.11 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.409 ' H ' HD13 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.99 143.82 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.156 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -147.49 144.64 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 6.9 p90 -145.45 144.67 30.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.381 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.1 t80 -144.48 143.35 30.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.205 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -121.38 158.77 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.548 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' E' ' 16' ' ' LYS . 27.5 tt0 -135.15 126.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.95 132.95 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -84.25 -13.13 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.53 -159.01 9.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.5 ' HG ' ' H ' ' F' ' 27' ' ' ASN . 10.6 t -49.15 164.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.668 HD22 ' N ' ' G' ' 15' ' ' GLN . 0.8 OUTLIER -100.52 154.21 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -104.62 -9.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.19 67.45 0.13 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.9 135.76 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 tt -145.52 145.31 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.31 140.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.77 145.55 14.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 146.04 30.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.682 0.277 . . . . 0.0 110.444 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptp -145.78 126.91 14.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.568 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.18 143.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.668 ' N ' HD22 ' F' ' 27' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' CB ' ' G' ' 16' ' ' LYS . 9.1 mtmp? -136.66 127.17 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.6 pt? -143.97 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.7 142.87 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.305 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -146.12 144.38 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.396 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.97 145.28 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.371 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 158.15 38.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -140.93 127.96 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' G' ' 24' ' ' VAL . 60.0 t-20 -103.49 144.42 31.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.483 ' N ' ' OD1' ' G' ' 23' ' ' ASN . 14.6 p -159.04 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.9 -143.98 4.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -79.69 -178.41 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 64.7 t-20 -158.87 142.2 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' G' ' 27' ' ' ASN . 8.5 ptmm? -157.72 52.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.477 ' O ' ' CA ' ' H' ' 37' ' ' GLY . . . 92.78 110.09 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.77 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -145.97 145.38 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -143.44 141.39 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.087 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.12 145.26 13.8 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.513 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.7 OUTLIER -144.61 143.38 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.436 ' O ' ' O ' ' H' ' 31' ' ' ILE . 12.4 ptm -146.21 135.3 22.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.8 129.69 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -131.43 129.56 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.18 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.185 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -147.14 144.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 25.2 p90 -144.44 143.29 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.304 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -145.35 143.9 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.273 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.37 152.79 42.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 110.552 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.73 134.09 55.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -126.0 146.37 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.82 135.67 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' G' ' 35' ' ' MET . 14.3 mt -146.34 145.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.94 143.46 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.257 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.46 145.65 14.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' H' ' 34' ' ' LEU . 1.4 pt? -146.34 144.87 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.619 0.247 . . . . 0.0 110.452 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtp -142.56 131.15 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.64 157.76 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' G' ' 29' ' ' GLY . . . 66.14 2.61 14.3 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -138.09 126.2 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 143.92 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.172 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -146.85 143.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.381 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -145.61 144.55 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.315 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -145.54 144.5 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.7 156.17 46.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.1 134.51 26.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.76 132.87 42.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.47 146.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.416 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.49 142.99 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.157 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.87 15.18 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.08 143.4 30.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.34 130.31 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 0.0 110.537 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.59 ' N ' ' SD ' ' A' ' 35' ' ' MET . 74.4 t -105.19 144.72 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 60.1 49.39 79.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.06 143.38 43.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -86.37 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.618 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.449 ' NZ ' ' OE1' ' C' ' 22' ' ' GLU . 60.9 mttm -137.9 119.23 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.426 ' H ' HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.46 144.47 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.172 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.36 144.49 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 13.6 p90 -146.08 144.79 30.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.307 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.5 p90 -145.65 145.11 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.3 151.92 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -141.93 127.17 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 26' ' ' SER . 1.6 t-20 -125.68 120.58 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.09 62.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.18 -167.23 34.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' B' ' 23' ' ' ASN . 60.6 p -54.74 168.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.349 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.67 126.7 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -74.33 -30.92 62.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . 153.45 129.53 1.38 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.89 139.9 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -146.22 145.98 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.444 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -143.12 140.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.12 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.17 145.26 13.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 148.23 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.579 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ptp -128.22 129.7 46.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.95 140.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.549 ' NE2' ' H ' ' D' ' 24' ' ' VAL . 19.1 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -138.09 116.24 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.89 144.41 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -145.71 143.01 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -144.82 142.87 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.258 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 1.6 p90 -146.25 145.3 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.335 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 139.64 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.502 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.449 ' OE1' ' NZ ' ' B' ' 16' ' ' LYS . 47.1 mt-10 -136.26 128.58 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -110.55 139.71 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 m -79.17 9.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.02 -107.63 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 27' ' ' ASN . 49.3 m -140.87 -2.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' C' ' 26' ' ' SER . 2.6 m120 47.65 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -172.93 97.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.62 59.95 1.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.07 134.84 38.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -145.31 144.9 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -143.98 141.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.172 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.17 144.03 12.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.1 OUTLIER -146.77 145.83 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.81 139.3 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.56 150.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -108.51 125.52 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.422 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.9 143.49 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.14 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' C' ' 20' ' ' PHE . 89.4 t -149.44 145.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 27.7 p90 -148.26 148.13 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 20.9 p90 -145.41 144.95 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.293 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.61 155.75 33.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -145.22 133.8 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -100.56 127.67 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.549 ' H ' ' NE2' ' C' ' 15' ' ' GLN . 86.8 t -80.04 -31.79 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.438 ' H ' HE22 ' C' ' 15' ' ' GLN . . . 165.55 35.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.446 ' H ' HE22 ' C' ' 15' ' ' GLN . 10.4 t -158.88 -124.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.56 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.41 ' N ' ' HG ' ' D' ' 26' ' ' SER . 0.2 OUTLIER 62.16 116.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -94.42 -46.92 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -152.69 143.67 10.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.62 145.67 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 tt -146.14 145.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.84 141.61 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.9 145.38 14.12 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.73 144.47 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 110.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.31 131.55 23.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 158.14 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' F' ' 22' ' ' GLU . 91.5 mttt -108.69 143.81 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 144.28 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.211 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -146.54 143.78 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' CE2' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.47 144.27 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.287 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 6.6 p90 -145.79 144.86 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.317 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.43 139.98 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -122.35 138.4 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -103.47 129.07 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 t -137.9 -44.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.09 -97.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.7 p -175.71 -66.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.339 . . . . 0.0 110.589 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.31 177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -161.23 112.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.07 4.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 141.29 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -146.46 146.07 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.384 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -146.89 144.36 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.387 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.71 146.59 16.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.618 ' N ' ' CD2' ' E' ' 34' ' ' LEU . 0.3 OUTLIER -146.72 145.57 30.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 110.516 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.8 ptm -145.42 126.33 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.19 153.56 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' F' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -105.97 127.3 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.424 ' H ' HD11 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.03 143.98 31.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.135 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -146.96 144.15 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.555 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 12.4 p90 -145.52 144.33 30.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.93 144.06 30.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.5 158.79 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' E' ' 16' ' ' LYS . 1.1 tm-20 -128.32 126.58 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' G' ' 15' ' ' GLN . 88.2 m-20 -116.01 146.28 42.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.01 -35.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.09 -109.3 3.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t 171.6 145.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -159.72 -57.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' E' ' 37' ' ' GLY . 10.9 tptp -160.89 -139.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.47 ' H ' ' CG ' ' F' ' 28' ' ' LYS . . . -107.13 173.03 18.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 136.15 29.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 tt -146.25 146.31 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -143.06 140.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.013 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.96 13.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' F' ' 34' ' ' LEU . 0.1 OUTLIER -146.21 144.97 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.65 0.262 . . . . 0.0 110.413 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ptm -146.19 125.86 13.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' F' ' 37' ' ' GLY . 16.7 m -98.6 156.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' H' ' 22' ' ' GLU . 2.5 mm100 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -106.56 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.442 HD22 ' N ' ' G' ' 17' ' ' LEU . 0.4 OUTLIER -143.68 143.93 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.171 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -146.69 143.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.14 144.49 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.1 p90 -145.89 145.21 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.327 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.42 158.25 34.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.74 128.06 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -125.28 130.35 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.28 -19.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.07 14.44 52.07 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m 60.53 -174.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -176.58 167.8 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -79.19 -65.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.4 93.18 0.13 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.42 145.16 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.334 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -145.68 145.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -143.6 141.29 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.087 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.03 145.45 14.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 1.6 mp -144.78 143.41 30.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.496 ' O ' ' O ' ' H' ' 31' ' ' ILE . 11.3 ptm -145.85 131.12 18.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.83 153.32 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -135.55 127.63 29.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.43 ' H ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.53 144.42 31.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.98 144.82 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 29.1 p90 -143.95 142.67 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -145.12 143.29 30.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 110.258 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.47 146.0 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' G' ' 15' ' ' GLN . 5.0 pt-20 -143.2 129.54 19.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -125.66 142.41 51.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.88 133.97 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' G' ' 35' ' ' MET . 12.7 tt -146.55 145.9 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 pt -145.95 143.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -147.23 146.16 15.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.11 145.0 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 0.0 110.432 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.5 mtp -140.56 131.2 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.495 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' H' ' 38' ' ' GLY . 16.6 t -97.93 141.83 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 -41.52 0.76 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 6.3 mp0 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -131.08 141.32 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.84 143.78 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.419 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.65 144.6 30.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -145.47 144.34 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.76 127.8 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.99 151.43 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.39 146.61 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 tp -146.27 145.48 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.401 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.64 143.53 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.222 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.83 15.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.12 143.64 30.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttm -140.89 134.3 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 110.588 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -126.27 155.55 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.38 61.78 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -177.36 2.39 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -86.95 145.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -105.72 118.65 37.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.436 HD11 ' H ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.24 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.179 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -147.7 144.73 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' C' ' 19' ' ' PHE . 7.2 p90 -146.5 145.12 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.319 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -146.46 146.31 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.47 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.54 135.24 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -124.08 135.48 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -100.78 144.61 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.62 -30.33 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.94 -44.83 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 p -163.99 -159.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -159.14 -165.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -171.99 84.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.19 117.02 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.21 133.89 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.535 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 pt -145.15 144.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -143.96 141.81 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.229 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 144.32 12.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.5 146.86 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.504 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 15.4 ptm -144.42 141.71 29.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.611 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.89 117.6 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' D' ' 22' ' ' GLU . 58.0 tttp -107.07 129.95 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.626 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 144.33 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.197 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -146.66 143.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.427 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' CE2' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 144.43 30.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -145.87 144.89 30.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.345 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.1 127.94 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -120.82 142.88 49.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -122.27 141.49 51.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -145.82 56.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.88 -77.1 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.9 t -156.33 149.78 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -171.38 37.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -65.83 163.86 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.25 23.84 19.59 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.69 139.63 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -145.58 145.21 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.49 141.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.091 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.66 144.8 13.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.1 OUTLIER -146.06 145.01 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.402 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ptp -145.08 138.06 26.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.27 124.55 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -128.67 131.02 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.431 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.92 143.98 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.163 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 t -146.72 144.0 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.455 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 31.8 p90 -145.08 144.0 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 21' ' ' ALA . 15.0 t80 -144.87 143.5 30.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.237 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' D' ' 20' ' ' PHE . . . -125.35 150.45 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 16' ' ' LYS . 35.0 tt0 -144.46 129.49 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -93.77 143.5 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.35 -31.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.77 -28.45 0.11 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -58.44 171.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' D' ' 27' ' ' ASN . 0.7 OUTLIER -127.97 104.25 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -142.83 168.2 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -92.25 148.73 19.3 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.26 145.21 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 tt -146.2 145.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.93 141.56 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.079 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.25 145.11 13.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 146.14 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ptp -144.78 134.54 23.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 t -103.17 118.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.533 ' OE1' ' N ' ' E' ' 15' ' ' GLN . 2.3 pm0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -106.08 137.05 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.512 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.98 142.83 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.156 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.51 142.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.84 144.81 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 20.9 p90 -145.65 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.274 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.9 140.14 53.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.59 136.2 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' E' ' 23' ' ' ASN . 1.5 m120 -119.41 137.19 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.99 51.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.14 -109.64 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -164.83 142.39 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 6.8 p-10 -154.28 -51.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt 44.85 74.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' F' ' 37' ' ' GLY . . . 149.11 62.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.83 40.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.3 145.31 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.352 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.65 144.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.83 145.93 15.29 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -145.45 144.39 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' E' ' 35' ' ' MET . 11.5 tmm? -143.64 144.35 31.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.54 154.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.44 ' NE2' HD22 ' G' ' 27' ' ' ASN . 38.1 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -119.17 140.52 50.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.431 ' H ' HD11 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.82 143.64 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.129 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.38 144.44 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 8.9 p90 -145.53 144.59 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.321 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.9 t80 -145.31 144.4 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.266 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -122.31 156.32 34.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -145.03 138.68 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -121.21 120.25 34.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.54 -29.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.38 -86.67 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -52.34 144.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -172.27 170.54 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -172.15 -72.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -154.91 138.38 6.1 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.49 34.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.593 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.54 144.89 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.427 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -143.62 141.44 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.57 144.55 12.86 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -145.19 144.31 30.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -145.64 126.69 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.495 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.33 144.12 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -138.16 130.35 28.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.6 pt? -144.36 144.67 31.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.284 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.78 143.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.297 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.75 144.06 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.4 p90 -145.85 145.16 30.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.335 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 157.99 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' G' ' 22' ' ' GLU . 9.0 mp0 -141.18 126.92 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -125.64 143.21 51.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 -40.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.11 -118.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -164.66 63.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.44 HD22 ' NE2' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -46.48 146.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' CB ' ' G' ' 28' ' ' LYS . 6.6 ttpm? -75.21 -39.92 59.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -166.34 126.99 1.53 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 145.18 33.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 11.4 tt -145.45 144.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -143.11 141.1 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.91 144.97 13.28 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 1.2 mp -145.53 144.5 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ptm -145.04 130.72 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' G' ' 37' ' ' GLY . 4.0 p -94.85 158.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.44 ' N ' ' CG2' ' G' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -137.99 118.09 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.03 144.11 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -146.47 143.91 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -144.78 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -145.38 143.96 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.4 128.28 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -119.56 127.75 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -118.84 141.85 48.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.31 141.38 28.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -146.96 146.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 0.577 ' CD1' ' N ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.08 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.438 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.6 145.12 13.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.86 145.94 30.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.675 0.274 . . . . 0.0 110.458 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 62.4 mtt -139.17 139.51 37.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.58 132.78 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.524 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 124.36 -54.38 0.73 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.515 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.39 129.58 27.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.98 144.06 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.217 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.94 143.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.452 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -145.39 144.33 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.54 152.87 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.06 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.452 HD21 ' CG ' ' B' ' 15' ' ' GLN . 10.1 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.92 145.7 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.556 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.81 145.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.89 143.63 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.259 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.79 146.05 15.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.94 143.25 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mtt -141.5 138.53 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.88 124.05 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 157.62 -77.61 0.19 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.31 1.85 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.01 159.73 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.571 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.51 ' CD ' ' H ' ' B' ' 15' ' ' GLN . 10.6 mp0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -138.13 126.44 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' B' ' 17' ' ' LEU . 1.6 pt? -144.47 144.61 31.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.66 144.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 2.9 p90 -146.05 145.03 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.9 p90 -145.31 144.48 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.6 135.01 46.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -118.55 128.96 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -124.92 126.23 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.6 -38.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -159.91 -43.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -64.07 76.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' GLY . 0.3 OUTLIER -100.03 -68.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm 61.41 -72.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -166.97 132.68 2.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.92 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -145.69 145.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.373 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -144.36 142.32 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.284 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.55 12.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.17 148.33 30.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.605 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -140.66 139.06 34.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.13 133.61 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -106.8 134.91 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.87 144.04 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -144.84 142.73 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.364 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.9 t80 -142.52 140.43 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.932 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.51 143.01 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.228 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.85 158.05 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -142.8 129.32 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . 0.507 ' C ' HD21 ' C' ' 23' ' ' ASN . 0.2 OUTLIER -125.8 123.27 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -89.08 -49.52 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.12 172.4 0.31 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -98.99 -6.55 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -157.02 121.24 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -161.29 95.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.58 103.23 0.21 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.1 142.76 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.15 146.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.7 pt -146.07 144.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.394 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 145.01 13.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 145.2 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.635 0.255 . . . . 0.0 110.471 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttp -136.96 144.4 43.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.78 117.7 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -105.76 121.96 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.507 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.34 144.5 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.25 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -146.98 144.33 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 1.6 p90 -146.4 145.17 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.473 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -145.57 144.83 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.329 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.83 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -145.33 126.97 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . 0.593 ' N ' HD21 ' D' ' 23' ' ' ASN . 0.2 OUTLIER -125.37 142.12 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.41 -20.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.3 -68.49 1.42 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -170.11 133.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.701 HD22 HE22 ' E' ' 15' ' ' GLN . 2.3 p-10 -147.54 118.94 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -80.49 -34.58 35.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -176.5 142.98 6.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.31 40.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.97 145.4 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.4 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' E' ' 34' ' ' LEU . 4.1 mp -143.41 141.4 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.056 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.8 145.03 13.42 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.75 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.628 0.251 . . . . 0.0 110.401 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ptp -143.43 132.98 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -133.16 133.01 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.701 HE22 HD22 ' D' ' 27' ' ' ASN . 7.9 mt-30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -110.76 133.96 52.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.438 HD21 ' N ' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -143.89 144.29 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 179.671 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.9 143.89 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.735 0.302 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.65 144.79 30.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.372 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 3.6 p90 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.308 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.68 150.89 48.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.15 145.35 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . 0.727 HD21 ' H ' ' E' ' 24' ' ' VAL . 0.8 OUTLIER -99.05 141.29 31.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.727 ' H ' HD21 ' E' ' 23' ' ' ASN . 17.4 m -135.69 32.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.452 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . -178.93 -103.31 0.17 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.418 ' HG ' ' C ' ' E' ' 25' ' ' GLY . 5.1 m -151.19 82.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 6.6 p-10 -66.65 156.62 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -172.76 139.17 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.37 27.62 53.69 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.85 141.04 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -145.3 144.8 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.344 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.49 ' O ' ' O ' ' D' ' 34' ' ' LEU . 1.7 pt -146.3 143.5 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.4 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.22 146.35 16.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.463 HD13 ' H ' ' E' ' 34' ' ' LEU . 0.2 OUTLIER -146.89 145.79 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.408 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -144.38 145.1 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.84 153.73 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.422 HE21 ' CG1' ' F' ' 36' ' ' VAL . 15.1 pt20 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -105.9 125.88 51.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.44 HD13 ' H ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.95 143.77 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.205 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -146.74 144.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 10.9 p90 -145.18 144.07 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.316 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 20.9 t80 -144.78 143.57 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.536 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -125.41 155.65 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -142.86 132.06 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.69 129.23 49.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.576 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -52.67 -54.51 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 53.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.711 ' HG ' ' H ' ' F' ' 27' ' ' ASN . 84.2 p -147.19 -75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.595 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.711 ' H ' ' HG ' ' F' ' 26' ' ' SER . 19.3 p-10 -67.03 138.7 57.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -137.91 121.43 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.96 91.02 0.14 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.96 145.85 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -146.02 145.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mp -143.74 141.52 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.07 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.97 13.24 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.04 146.17 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.704 0.287 . . . . 0.0 110.446 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.05 127.84 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.422 ' CG1' HE21 ' F' ' 15' ' ' GLN . 5.2 m -130.84 127.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -105.92 134.48 48.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.6 pt? -144.15 144.29 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.249 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.12 143.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.373 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.61 143.92 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.302 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 4.8 p90 -145.73 144.89 30.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.98 149.2 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -143.41 131.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -103.83 140.58 37.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.18 28.78 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.46 -98.69 0.11 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 55.0 p -161.42 -176.74 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.603 HD21 ' N ' ' G' ' 28' ' ' LYS . 2.3 p-10 -165.87 -155.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.603 ' N ' HD21 ' G' ' 27' ' ' ASN . 47.5 tttp -154.62 75.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 116.33 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.54 145.13 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.622 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.49 144.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -143.59 141.57 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.02 145.19 13.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.1 OUTLIER -144.86 143.55 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -146.15 138.34 25.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.619 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.44 144.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' H' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.456 ' NZ ' ' CB ' ' H' ' 16' ' ' LYS . 9.2 mtmp? -130.54 118.56 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.41 144.4 31.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.195 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.54 144.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 0.0 110.424 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' H' ' 19' ' ' PHE . 25.6 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.275 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.21 143.81 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.282 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.93 158.16 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -143.53 137.87 28.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -119.82 135.92 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.05 139.54 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 tt -146.87 146.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.442 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.53 144.39 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.44 145.35 14.18 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.97 144.61 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.655 0.264 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 47.4 mtm -144.53 127.78 16.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' H' ' 38' ' ' GLY . 31.0 m -111.32 150.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.68 1.22 3.35 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -134.79 139.78 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.9 143.83 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.161 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -146.73 144.08 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -144.59 143.41 30.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -145.05 143.54 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.231 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 157.33 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -120.72 134.78 55.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.6 136.35 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mt -146.44 145.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -146.48 144.1 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.429 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 145.73 14.92 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.39 145.01 30.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ttt -139.1 131.32 28.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -112.98 141.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.21 47.47 17.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.86 -152.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.7 151.77 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.536 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -105.83 131.03 53.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' B' ' 17' ' ' LEU . 1.6 pt? -144.15 144.33 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.265 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.33 143.74 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.392 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 143.86 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.277 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.4 p90 -145.83 145.12 30.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.06 147.62 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.13 128.57 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.28 143.02 50.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.42 23.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 26' ' ' SER . . . 164.48 174.24 34.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 25' ' ' GLY . 7.3 m 59.87 147.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -153.28 28.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.33 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 124.81 0.97 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.8 142.59 33.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -145.86 145.56 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.404 HG21 ' N ' ' B' ' 33' ' ' GLY . 2.1 mp -143.87 141.61 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.089 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.404 ' N ' HG21 ' B' ' 32' ' ' ILE . . . -146.81 145.04 13.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -144.77 143.6 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.9 ptm -145.27 134.83 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -125.35 131.55 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.614 ' NE2' HD21 ' D' ' 23' ' ' ASN . 24.8 mm-40 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -112.41 123.68 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.415 HD11 ' H ' ' C' ' 17' ' ' LEU . 0.3 OUTLIER -143.71 143.55 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.09 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -147.18 144.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 9.9 p90 -145.52 144.45 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 21' ' ' ALA . 9.9 t80 -144.88 143.86 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.234 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' C' ' 20' ' ' PHE . . . -123.17 158.2 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.547 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' D' ' 15' ' ' GLN . 41.6 tt0 -135.23 142.42 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -125.63 120.15 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -117.44 16.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.14 -131.91 2.04 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -99.66 127.86 45.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.593 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.484 ' C ' HD21 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -58.22 -179.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -157.42 -56.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 162.74 78.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.72 137.01 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 tt -146.1 145.82 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -143.23 140.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' D' ' 33' ' ' GLY . . . -147.69 145.41 14.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.93 146.22 30.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.461 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.3 ptm -145.73 129.98 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -125.1 158.68 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' C' ' 22' ' ' GLU . 74.1 mt-30 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' C' ' 22' ' ' GLU . 39.9 tttp -110.51 135.95 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.98 144.27 31.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.78 144.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.25 143.97 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -145.67 144.79 30.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.322 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.47 144.43 51.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -139.43 128.31 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASN . . . . . 0.614 HD21 ' NE2' ' C' ' 15' ' ' GLN . 3.5 m120 -115.58 144.51 43.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.11 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.75 69.33 0.05 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -177.09 57.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.51 140.02 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -159.48 103.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.93 85.18 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.39 139.67 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.67 146.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.85 143.52 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' C' ' 33' ' ' GLY . . . -146.32 145.36 14.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.645 ' CD1' ' N ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -144.3 142.85 30.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.8 ptm -145.69 135.61 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.72 153.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -132.39 134.82 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.518 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.409 ' H ' HD11 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -144.05 143.97 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.189 179.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -146.7 143.94 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 14.4 p90 -145.26 143.92 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 11.2 p90 -145.51 144.69 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.349 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.84 152.62 29.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -145.16 132.89 21.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASN . . . . . 0.634 HD22 ' N ' ' E' ' 26' ' ' SER . 2.0 t-20 -98.67 146.06 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.571 ' H ' HD21 ' E' ' 23' ' ' ASN . 6.7 m -123.38 18.7 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.519 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . 175.19 -57.79 0.12 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.634 ' N ' HD22 ' E' ' 23' ' ' ASN . 6.3 t -167.44 122.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 13.7 p-10 -86.53 172.52 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -143.24 68.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.53 130.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 145.38 33.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 tt -145.99 145.53 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mp -144.12 141.93 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.135 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 144.68 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -146.59 145.63 30.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.9 ptp -144.88 123.92 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.548 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -110.8 130.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -135.01 144.26 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -143.24 143.07 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.128 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.75 142.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.307 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.16 144.94 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 1.1 p90 -145.6 144.69 30.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.53 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.516 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -140.53 149.01 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -98.58 146.58 25.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -133.71 -9.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.9 -111.7 0.61 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t 174.94 77.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -92.01 -152.5 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -168.99 135.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 89.97 68.46 1.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 140.33 34.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 tt -146.46 146.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.406 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.28 143.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.274 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.96 146.27 15.96 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.09 144.7 30.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.69 139.5 28.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.65 155.79 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -105.77 135.08 47.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.625 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.3 pt? -144.21 144.29 31.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.17 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.18 144.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.8 OUTLIER -146.46 144.76 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.326 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.79 145.45 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.338 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.53 158.4 29.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' H' ' 16' ' ' LYS . 51.1 mt-10 -139.19 142.12 37.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -125.12 140.39 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.68 -16.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.88 -112.36 0.79 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -161.23 97.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.85 -178.04 5.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -164.06 93.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . 135.79 98.1 0.54 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.05 131.15 28.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -146.39 145.87 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -144.05 142.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.33 143.9 12.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.09 146.64 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.7 ptp -142.36 145.53 34.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 m -123.16 133.46 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' G' ' 22' ' ' GLU . 16.2 mtmm -129.45 133.55 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.67 31.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -147.4 144.44 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.487 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -145.31 144.57 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.343 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -145.54 144.07 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.231 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -137.05 130.71 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -121.97 136.64 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.32 145.64 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -146.1 145.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.42 143.25 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.227 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.86 145.75 14.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.13 143.63 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mmt -142.81 130.06 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.511 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 t -106.77 158.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 49.88 24.04 5.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.622 ' H ' ' CG2' ' B' ' 24' ' ' VAL . 14.2 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 22' ' ' GLU . 11.4 ttmm -138.75 118.55 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.23 144.33 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.226 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -146.44 143.99 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.39 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -144.85 143.42 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.55 144.01 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.266 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.89 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.633 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -120.45 141.4 50.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -93.63 145.53 24.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.5 m -71.12 -3.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.58 60.04 0.32 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -163.22 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.8 OUTLIER 59.69 62.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -165.93 -7.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.46 -19.83 6.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 135.89 36.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -147.19 146.88 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.454 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -146.18 143.85 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.345 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.22 146.02 15.38 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 1.7 pt? -146.71 145.64 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 0.0 110.465 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 ttt -142.3 123.53 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.26 158.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.79 48.78 17.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.84 -126.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.59 144.89 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.518 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' B' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.28 138.11 46.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 144.31 31.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.196 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.74 144.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.672 ' CE2' ' CE1' ' C' ' 19' ' ' PHE . 1.2 p90 -146.46 144.94 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.354 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -145.61 144.77 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.32 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.8 136.09 50.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.486 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' LYS . 28.5 mt-10 -136.1 127.46 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -111.11 139.39 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.622 ' CG2' ' H ' ' A' ' 15' ' ' GLN . 5.3 m -128.96 21.86 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.33 157.46 27.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -79.47 72.92 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.592 ' N ' HD21 ' B' ' 27' ' ' ASN . 0.0 OUTLIER -80.06 171.64 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -82.68 -160.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.64 136.3 7.77 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.33 130.08 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.45 ' CD1' ' C ' ' B' ' 31' ' ' ILE . 1.2 pp -146.0 145.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.369 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.48 143.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.285 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.71 146.44 16.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.95 144.57 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.658 0.266 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.3 ptp -145.43 131.94 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' B' ' 37' ' ' GLY . 5.8 p -114.57 157.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.408 ' N ' ' CG2' ' B' ' 36' ' ' VAL . . . 177.79 -154.96 16.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.31 65.03 0.3 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.14 133.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.588 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' D' ' 22' ' ' GLU . 30.4 tttp -128.1 116.88 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.422 HD11 ' H ' ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.27 144.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -145.96 143.04 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.324 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.754 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -144.92 143.76 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.275 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -145.64 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.31 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 156.1 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -143.03 128.26 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . 0.669 HD21 ' H ' ' D' ' 15' ' ' GLN . 6.7 t-20 -125.02 126.62 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.65 -58.45 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.17 0.17 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -156.98 127.68 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -84.75 125.43 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.58 -58.6 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -160.57 107.3 0.31 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.3 137.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -145.75 145.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.412 HG12 ' HB3' ' D' ' 34' ' ' LEU . 32.9 mt -143.63 141.11 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.99 145.1 13.51 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.4 145.4 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.685 0.279 . . . . 0.0 110.427 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -144.38 137.99 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.92 150.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 95.8 -38.33 3.15 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 44.44 -162.41 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -124.88 140.73 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.6 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.669 ' H ' HD21 ' C' ' 23' ' ' ASN . 35.1 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.483 ' NZ ' ' CB ' ' D' ' 16' ' ' LYS . 8.2 mtpm? -117.31 128.97 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 tt -143.89 144.39 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.68 142.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 3.8 t80 -144.84 143.26 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.701 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 20.4 m-85 -144.56 143.43 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.251 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.85 151.35 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 16' ' ' LYS . 36.8 mt-10 -145.68 127.05 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.54 145.73 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.97 61.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.48 -95.17 0.14 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -160.44 145.63 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' D' ' 28' ' ' LYS . 6.6 t-20 -123.28 -169.87 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.535 ' H ' ' CG ' ' D' ' 27' ' ' ASN . 32.7 ttpt -163.52 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -156.56 102.54 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.94 145.53 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -145.65 145.1 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -143.85 141.77 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.123 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.2 144.59 13.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.412 ' HB3' HG12 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -144.69 143.4 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptm -144.53 138.39 27.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.2 t -108.69 149.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.92 103.78 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . -138.73 -128.25 2.56 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.97 140.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.562 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.57 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.77 116.68 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.94 144.24 31.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.177 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.84 143.71 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' F' ' 19' ' ' PHE . 21.1 p90 -147.27 146.03 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.526 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -146.05 145.5 30.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.348 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.24 51.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -131.67 126.78 35.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -110.36 138.22 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -74.44 -63.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.48 -109.4 3.36 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -115.0 -168.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -168.13 170.7 10.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -81.64 -54.61 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.99 113.36 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.33 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.78 145.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.413 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -143.6 141.46 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.062 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 145.13 13.59 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.02 144.73 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ptm -144.82 124.92 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.4 147.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.73 -151.64 10.22 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.61 -60.35 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.85 135.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.566 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -105.65 140.04 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.624 ' N ' ' CD2' ' F' ' 17' ' ' LEU . 0.8 OUTLIER -144.02 144.05 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.192 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -145.23 143.21 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.637 ' CE2' ' CD2' ' E' ' 19' ' ' PHE . 2.0 t80 -142.46 140.3 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.5 t80 -144.42 143.07 30.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.268 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.573 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -136.42 150.31 48.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -133.08 142.1 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . 0.658 ' ND2' HD21 ' F' ' 27' ' ' ASN . 28.5 m120 -123.01 139.81 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.14 -39.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.22 -97.1 0.11 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -79.27 151.81 30.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.658 HD21 ' ND2' ' F' ' 23' ' ' ASN . 64.5 t-20 -163.5 144.08 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' F' ' 27' ' ' ASN . 12.6 ptpt -167.17 129.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.49 1.68 53.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 128.04 42.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 tt -146.39 145.84 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 pt -146.54 144.2 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 146.09 15.54 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.8 144.75 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.8 OUTLIER -140.97 137.12 32.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.523 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.65 147.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.17 39.68 97.5 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.34 -132.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -137.37 145.06 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.602 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.58 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -109.58 132.32 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.592 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.95 143.96 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.165 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.6 143.68 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -147.08 145.21 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.482 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.7 p90 -145.89 145.67 30.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.319 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.09 157.83 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -144.78 127.11 15.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -107.13 140.25 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.47 -19.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.32 -77.44 0.19 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.9 p -56.83 115.17 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.48 152.36 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.09 -61.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -174.43 114.29 0.5 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 142.19 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 pt -145.24 145.07 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.345 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -144.26 141.95 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.32 145.13 13.48 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.51 146.82 29.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.72 137.13 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 m -109.94 147.72 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . 83.63 99.76 0.56 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . 161.05 -110.82 0.46 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 m -145.83 153.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.567 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -137.99 133.16 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.21 144.03 31.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.199 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t -147.73 144.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -144.84 144.0 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.238 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -145.79 144.31 30.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.295 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.41 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -144.92 130.52 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -121.2 132.1 54.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -160.73 -33.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.26 106.57 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m 53.03 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.594 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -47.88 153.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.93 173.52 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' G' ' 37' ' ' GLY . . . 149.49 43.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.67 145.28 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.53 146.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.6 143.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 145.36 14.18 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.39 143.75 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 32.2 ttm -144.26 134.53 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.52 141.68 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.74 91.28 0.25 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -89.43 -102.85 1.07 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.48 143.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.545 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.54 126.51 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.65 143.63 31.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.132 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -146.86 143.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -145.72 144.65 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -145.27 144.35 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 153.22 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -139.4 145.36 38.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.8 OUTLIER -124.5 129.82 51.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.11 -166.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.88 101.04 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' A' ' 27' ' ' ASN . 73.0 p -168.43 -107.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.558 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.564 ' H ' ' HG ' ' A' ' 26' ' ' SER . 12.7 t-20 -168.48 61.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 9.1 mtmp? 45.51 -111.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.72 -18.79 8.27 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -146.95 146.7 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.451 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -145.63 143.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.273 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.8 15.0 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.02 143.4 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 mtt -145.11 137.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.04 136.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 49.39 79.02 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -68.4 -142.67 0.1 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.81 157.65 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.578 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 128.16 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.43 HD11 ' H ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.14 144.26 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.223 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.84 143.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' B' ' 32' ' ' ILE . 15.6 p90 -146.07 144.85 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.334 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -145.33 144.54 30.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.298 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.28 157.38 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.341 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -134.95 144.01 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -93.43 136.72 33.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 68.1 t -149.11 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.18 -105.0 0.85 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -170.33 82.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' N ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -76.3 -162.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.67 ' N ' HD21 ' B' ' 27' ' ' ASN . 13.7 ptmt -142.07 -8.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 159.68 104.67 0.2 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.66 144.0 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.16 145.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.469 ' CG2' ' CZ ' ' B' ' 19' ' ' PHE . 4.9 mp -144.3 142.18 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.251 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.37 144.88 13.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 147.5 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.595 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.19 139.14 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.495 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.37 138.28 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.59 56.26 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.6 164.92 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 86.3 t -85.47 127.32 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.547 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -119.41 141.74 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.75 144.0 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.216 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -145.0 142.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.599 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.2 t80 -142.19 140.07 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' C' ' 21' ' ' ALA . 6.2 t80 -144.8 143.44 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.264 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.563 ' N ' ' CD1' ' C' ' 20' ' ' PHE . . . -138.27 153.2 49.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -139.22 128.47 24.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -93.77 121.75 35.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.01 -30.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.93 78.79 1.32 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.9 m -161.08 -109.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -79.77 -162.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -155.79 137.77 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.95 60.77 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.11 140.81 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.9 pt -145.48 144.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -146.0 143.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.432 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.66 14.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 145.54 30.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.36 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -145.37 151.22 37.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -90.89 117.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 135.71 108.68 0.96 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.31 -95.88 1.28 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -150.56 133.99 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.596 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -107.72 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.25 144.41 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.64 144.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 4.7 p90 -145.81 144.35 30.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -145.92 145.19 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.401 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.88 146.64 46.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.547 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -135.01 127.19 29.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -105.87 140.19 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.53 -31.52 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.83 38.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 p -177.84 139.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -176.77 110.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -58.53 -23.95 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . 159.08 152.87 6.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' H ' ' C' ' 37' ' ' GLY . . . -142.74 145.9 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.15 143.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.298 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -143.14 141.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.15 145.17 13.61 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.85 145.19 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 110.341 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -136.66 122.68 20.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' D' ' 37' ' ' GLY . 99.4 t -100.38 158.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.401 ' N ' ' CG1' ' D' ' 36' ' ' VAL . . . -163.15 -158.75 9.98 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.27 -7.42 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -86.0 146.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.602 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -130.44 141.37 50.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.437 HD21 ' N ' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -143.89 144.38 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.206 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -145.73 142.86 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 110.347 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -144.82 143.52 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.327 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' E' ' 21' ' ' ALA . 6.9 t80 -144.89 143.54 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.219 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CE1' ' E' ' 20' ' ' PHE . . . -130.65 146.63 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.57 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -142.46 131.84 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.71 136.94 55.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -77.81 -17.33 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.57 -173.61 25.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 128.08 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.416 HD21 ' N ' ' E' ' 29' ' ' GLY . 4.4 t30 -89.75 158.13 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -71.49 -58.19 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.416 ' N ' HD21 ' E' ' 27' ' ' ASN . . . -162.53 72.9 0.2 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 140.15 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -146.13 145.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.594 ' CD1' ' N ' ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.44 145.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.511 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.402 ' C ' ' CD2' ' E' ' 34' ' ' LEU . . . -146.69 145.74 14.93 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -146.81 145.73 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 110.441 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -144.27 144.78 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.47 117.82 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.599 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 163.63 -61.96 0.26 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 45.39 -171.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 t -95.19 134.75 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.591 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -105.8 119.28 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.403 ' H ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.01 144.33 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.193 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.19 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.491 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 17.2 p90 -146.09 144.92 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' F' ' 20' ' ' PHE . 29.1 p90 -145.64 145.05 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.413 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.19 42.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -136.89 126.88 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -93.57 146.26 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -143.89 37.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.13 151.15 25.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 71.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -128.33 174.78 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -144.98 -147.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -79.36 149.86 32.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.22 37.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.601 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.99 144.96 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.72 141.5 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 145.95 15.19 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.03 144.61 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 110.321 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.5 ptp -144.75 128.47 17.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.5 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -98.51 148.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 29' ' ' GLY . . . 73.81 -56.18 2.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.43 4.58 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 m -150.04 161.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.547 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' G' ' 15' ' ' GLN . 1.9 mp0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -105.98 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.92 144.15 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.213 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.66 143.99 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -144.83 143.59 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.299 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' G' ' 21' ' ' ALA . 10.0 t80 -145.09 143.56 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.213 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' G' ' 20' ' ' PHE . . . -125.38 142.66 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.566 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' H' ' 16' ' ' LYS . 25.2 tt0 -130.14 127.25 39.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . 0.466 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 6.1 m-80 -120.79 126.14 49.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.98 -54.1 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 66.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -161.16 167.52 26.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 56.01 171.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -152.54 154.06 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . 75.77 94.44 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.44 138.23 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.03 144.77 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.349 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -143.55 141.13 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -146.59 144.75 13.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.1 OUTLIER -145.88 144.9 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 0.0 110.427 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.5 tmt? -144.36 126.5 15.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -122.14 117.83 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.16 -108.2 0.19 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.71 -84.15 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.2 146.01 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.548 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.466 ' NE2' ' OD1' ' G' ' 23' ' ' ASN . 67.9 mt-30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' G' ' 22' ' ' GLU . 2.8 tptp -138.03 126.04 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.4 31.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.175 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -146.43 144.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 30.5 p90 -144.64 143.09 30.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.336 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -145.34 143.94 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.247 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.33 140.04 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -141.22 133.3 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' H' ' 24' ' ' VAL . 41.2 t-20 -106.75 145.62 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' H' ' 23' ' ' ASN . 11.6 t -47.96 -37.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.06 175.31 23.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.524 ' O ' ' ND2' ' H' ' 27' ' ' ASN . 22.9 p -81.45 121.74 26.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' H' ' 26' ' ' SER . 16.3 m-80 -157.17 110.69 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -62.19 102.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.16 -12.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.03 131.87 41.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 17.6 pt -146.29 145.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 pt -145.96 143.51 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.71 145.82 15.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.23 143.72 30.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 12.4 tpt -144.77 124.77 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.558 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 m -113.33 152.4 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.37 33.53 68.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -64.29 161.07 38.67 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -86.03 123.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.609 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 3.5 mp0 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -120.54 115.46 23.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.16 144.25 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.262 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -146.81 143.83 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.397 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -145.11 144.27 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -145.14 143.68 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.255 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.19 158.21 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -129.87 130.77 45.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -125.94 120.34 30.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -86.41 62.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.75 -116.92 0.81 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 28' ' ' LYS . 18.7 p -82.37 137.01 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.571 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -73.99 12.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 26' ' ' SER . 18.4 mtpp -97.64 -21.15 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 -69.6 1.23 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.56 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 tt -146.88 146.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.414 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.88 143.95 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.27 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.85 145.7 14.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.3 143.92 30.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 tpt -143.83 136.11 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.7 m -131.28 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.06 -9.66 70.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.4 129.37 10.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -85.97 141.07 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.588 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.467 ' OE1' ' ND2' ' C' ' 23' ' ' ASN . 81.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.426 ' H ' ' H ' ' B' ' 15' ' ' GLN . 40.8 tttp -138.43 122.48 17.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 144.38 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.216 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.22 144.4 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.6 OUTLIER -146.78 145.39 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.424 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.511 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 1.2 p90 -145.39 144.79 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.379 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 128.73 44.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -119.21 128.77 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' B' ' 23' ' ' ASN . 1.5 m-20 -95.92 138.15 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.47 -31.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.55 -91.62 2.04 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -152.84 175.77 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -152.06 176.2 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -153.16 -27.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.09 120.17 0.83 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.08 144.2 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 tt -146.2 145.5 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.98 142.13 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.198 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.83 12.05 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.69 146.84 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.504 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.66 144.82 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.45 140.53 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.04 -79.29 0.87 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.14 -161.76 20.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.82 136.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.581 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 18.2 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -105.5 132.99 50.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' C' ' 17' ' ' LEU . 1.5 pt? -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.226 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -146.08 143.49 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.392 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.11 143.52 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.293 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.6 p90 -145.85 144.96 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.24 141.49 52.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.05 134.18 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . 0.467 ' ND2' ' OE1' ' B' ' 15' ' ' GLN . 33.4 t30 -105.54 128.44 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.27 -77.21 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.578 ' H ' ' NE2' ' D' ' 15' ' ' GLN . . . -79.52 -87.83 0.52 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -169.48 122.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -80.94 -179.79 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -158.63 44.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 90.51 1.26 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.02 145.22 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -145.07 144.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.63 141.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.31 144.55 12.93 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.41 145.19 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptp -144.94 140.3 28.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -102.87 143.6 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.18 32.57 82.99 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . -45.9 -65.2 2.1 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -95.03 147.06 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.59 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.573 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.578 ' NE2' ' H ' ' C' ' 25' ' ' GLY . 73.0 mt-30 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.46 ' HB3' ' HZ2' ' D' ' 16' ' ' LYS . 4.8 ttpm? -135.37 136.22 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.429 ' H ' HD13 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -143.86 143.45 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.12 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -147.72 144.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 25.0 p90 -145.97 145.04 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.2 p90 -145.5 144.8 30.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.279 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.56 158.53 31.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -141.11 126.92 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -104.63 141.35 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -139.98 -13.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.88 -93.28 0.67 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.8 m -91.58 179.99 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' D' ' 29' ' ' GLY . 55.8 m-20 -136.25 -46.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttm 54.05 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' D' ' 27' ' ' ASN . . . 177.21 102.17 0.15 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.86 143.74 27.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 tt -145.83 145.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -143.58 141.25 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.098 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.61 14.53 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' D' ' 34' ' ' LEU . 0.9 OUTLIER -146.23 145.19 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' D' ' 35' ' ' MET . 12.9 tmm? -144.2 132.78 22.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.42 156.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.19 62.91 4.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.61 -124.58 0.13 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.21 137.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.335 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.569 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' F' ' 22' ' ' GLU . 52.5 tttm -132.91 143.07 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.74 144.14 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.188 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.63 143.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.365 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.36 144.62 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.316 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 2.4 p90 -145.53 144.22 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.342 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.56 142.23 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -129.37 126.7 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' D' ' 15' ' ' GLN . 1.7 m-20 -100.0 123.2 43.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.607 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 m -95.99 137.22 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.76 -115.11 3.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -95.73 177.85 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' E' ' 28' ' ' LYS . 2.9 t30 -163.41 174.22 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.671 ' H ' ' ND2' ' E' ' 27' ' ' ASN . 32.3 mttp -132.13 -132.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . -91.16 123.09 6.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 145.28 34.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.43 144.38 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.38 142.16 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 144.73 13.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -145.17 144.03 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -144.49 136.87 26.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -111.0 123.25 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 106.13 20.28 9.38 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . -63.52 -173.06 2.41 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 87.8 t -86.4 140.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.542 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -106.14 130.22 54.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.421 HD12 ' H ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.96 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.12 144.42 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 9.4 p90 -145.72 144.52 30.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.334 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.06 144.3 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.48 158.89 23.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' E' ' 16' ' ' LYS . 13.3 tt0 -135.5 144.75 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -125.91 145.88 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.8 2.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.14 -97.85 0.13 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -145.54 174.87 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -166.86 158.83 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -75.85 -50.63 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . 176.31 133.72 1.83 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.0 141.92 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 tt -145.87 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -143.23 141.07 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.066 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.43 144.62 12.98 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.55 144.31 30.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.638 0.256 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.6 ptm -145.26 134.6 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 110.519 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.52 158.06 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . 91.65 121.0 2.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.44 -96.2 0.11 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.87 152.12 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.535 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -137.97 131.89 31.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.421 HD22 ' N ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -144.18 144.38 31.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.191 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -146.25 143.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.98 144.31 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.329 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 23.1 p90 -145.92 145.24 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.397 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 138.29 48.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.25 126.63 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.34 126.25 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -149.53 33.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.24 -88.86 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . 0.624 ' HG ' ' H ' ' G' ' 27' ' ' ASN . 31.7 p -172.64 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.624 ' H ' ' HG ' ' G' ' 26' ' ' SER . 16.6 m120 59.52 -178.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -168.86 117.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 60.1 4.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 141.96 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.99 145.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.3 141.08 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.05 145.16 13.61 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 2.1 mp -145.32 144.46 30.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptm -143.67 125.14 14.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -144.26 139.82 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.65 103.43 0.19 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.14 141.7 3.22 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.32 131.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.521 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.606 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -138.05 120.8 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.427 HD13 ' H ' ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.2 144.34 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.207 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.82 144.22 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 28.4 p90 -144.66 143.28 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -145.29 144.03 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.81 146.5 50.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -116.8 128.78 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -108.41 122.4 46.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.79 -25.79 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.79 62.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -157.1 140.47 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.551 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -105.64 14.22 28.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -149.87 151.75 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 8.07 51.35 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 120.91 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.54 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -146.15 145.33 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.383 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.75 143.28 21.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.24 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.79 145.77 14.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.58 ' N ' ' CD2' ' H' ' 34' ' ' LEU . 1.5 pt? -146.15 144.75 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.261 . . . . 0.0 110.446 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 27.9 mtt -144.64 131.4 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.28 150.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.55 34.88 91.14 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.84 -156.85 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -85.91 139.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.588 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' B' ' 22' ' ' GLU . 85.5 mttt -133.95 126.93 31.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 144.61 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.258 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.21 143.99 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.724 0.297 . . . . 0.0 110.432 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -145.69 145.09 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -145.38 143.93 30.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.262 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.29 133.46 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -117.52 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 25' ' ' GLY . 3.4 m120 -119.68 125.58 49.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 m -48.31 -12.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 23' ' ' ASN . . . -156.84 -139.2 2.68 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -61.55 -141.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -157.77 98.56 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' NZ ' ' OG ' ' A' ' 26' ' ' SER . 6.5 ptpp? -157.6 66.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.97 -36.8 0.23 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 137.0 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -146.18 145.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.396 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.39 142.85 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.213 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.97 15.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.94 143.38 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -143.5 131.06 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.545 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.38 142.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.07 77.69 0.83 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -75.24 -153.37 3.81 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.97 151.77 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -138.21 123.46 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.12 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.192 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.39 144.27 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 24.8 p90 -147.93 146.5 29.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.3 p90 -145.75 145.68 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 154.72 35.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' LYS . 29.3 tt0 -145.51 144.36 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.528 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . 0.525 ' N ' HD21 ' B' ' 23' ' ' ASN . 0.0 OUTLIER -124.88 133.44 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.75 -15.82 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 26' ' ' SER . . . 166.79 44.21 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 25' ' ' GLY . 40.7 m -169.96 122.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -155.95 55.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -47.27 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -158.29 96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 142.14 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -146.12 145.61 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -143.26 141.23 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.198 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.6 144.5 12.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.75 148.02 30.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ptp -129.13 136.92 50.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.26 135.12 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.71 78.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.44 132.18 1.31 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -153.52 153.65 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.561 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.524 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 25.8 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -109.16 143.14 38.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.99 144.41 31.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.22 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.91 143.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 5.6 t80 -144.66 142.51 30.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.174 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 3.5 p90 -146.65 145.93 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.97 158.27 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' D' ' 16' ' ' LYS . 13.4 mm-40 -139.68 127.45 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . 0.648 HD21 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -122.13 130.31 53.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 t -67.66 -15.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.19 1.38 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -162.94 90.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.523 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.78 -178.15 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -172.28 34.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . 84.47 95.37 0.68 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.58 145.32 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -145.27 144.57 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.343 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -144.2 142.01 24.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.181 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 144.68 13.0 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.14 145.02 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.668 0.271 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptp -145.37 136.54 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' C' ' 37' ' ' GLY . 54.8 t -107.32 158.07 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.452 ' N ' ' CG1' ' C' ' 36' ' ' VAL . . . 50.64 51.65 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.74 154.25 0.66 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.42 137.49 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.47 ' H ' ' NE2' ' D' ' 15' ' ' GLN . 11.6 mp0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' C' ' 22' ' ' GLU . 74.7 mttt -136.55 123.57 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.412 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.58 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.228 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HD1' ' C' ' 19' ' ' PHE . 97.9 t -147.12 143.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 1.3 p90 -146.5 145.63 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.31 145.95 30.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.93 158.37 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.483 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -142.04 127.0 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -120.22 126.86 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.24 -30.01 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.54 -37.79 0.18 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -82.38 151.04 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.656 HD22 HD22 ' F' ' 27' ' ' ASN . 0.8 OUTLIER -173.28 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -77.88 -50.38 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 121.78 0.82 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.72 143.29 51.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 pt -145.72 145.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.421 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -143.94 141.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.158 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.5 144.78 13.17 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.21 145.16 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 110.449 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.4 ptm -144.55 135.89 25.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.43 117.69 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . 144.63 121.08 1.45 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.54 -100.34 0.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.38 153.86 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 110.529 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.546 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' F' ' 27' ' ' ASN . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -137.92 142.91 40.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -144.18 144.61 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -145.97 142.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.251 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 145.33 30.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.539 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 13.1 p90 -145.35 144.17 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.246 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 153.03 39.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.42 132.46 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -126.15 121.9 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.23 -73.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.63 -98.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.0 m -161.36 148.31 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -140.86 159.61 41.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -165.9 135.47 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.87 61.91 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.72 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.78 145.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.371 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.64 146.77 16.85 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -146.42 145.61 30.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.345 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 6.2 ptp -144.07 149.44 36.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -114.55 158.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . -151.56 -134.69 2.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 80.68 1.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -86.52 148.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -116.49 128.96 55.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.01 143.83 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.166 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.9 144.19 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 15.1 p90 -145.33 143.92 30.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.299 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 8.4 p90 -146.02 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.377 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 158.45 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.96 126.8 17.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.59 132.24 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -84.76 -36.56 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 58.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.505 ' HG ' ' N ' ' F' ' 27' ' ' ASN . 2.6 t 174.68 173.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.656 HD22 HD22 ' D' ' 27' ' ' ASN . 22.9 m120 56.65 155.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -165.75 84.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 171.57 85.12 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.35 145.6 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -145.25 144.42 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -143.96 141.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.204 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.98 144.81 13.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' F' ' 34' ' ' LEU . 0.1 OUTLIER -145.86 145.27 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.374 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -136.02 123.14 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.463 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 26.6 t -80.56 153.82 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.79 -71.97 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.99 -155.58 26.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.92 134.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.58 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -106.71 142.52 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.86 143.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.141 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.77 144.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.63 144.91 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.429 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 17.6 p90 -145.56 144.83 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.268 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.94 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.576 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -144.47 126.39 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -125.76 136.96 53.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.8 -11.52 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -179.68 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . 0.433 ' O ' ' O ' ' G' ' 25' ' ' GLY . 10.3 t 48.92 100.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.25 -46.77 72.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -47.42 157.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -85.2 115.54 4.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 145.09 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.94 144.89 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.368 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.415 ' CD1' ' CZ ' ' G' ' 19' ' ' PHE . 2.1 pp -146.33 144.03 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.417 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.42 146.54 16.42 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 1.4 mp -144.68 143.26 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.481 ' O ' ' O ' ' H' ' 31' ' ' ILE . 1.4 ptp -144.97 133.4 21.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 23.8 m -122.0 158.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.71 -89.43 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.46 -96.69 0.17 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -86.18 142.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.606 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -138.07 119.75 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.62 ' N ' ' CD2' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -144.51 144.13 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.186 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' G' ' 20' ' ' PHE . 11.5 t -147.66 145.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.614 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.95 142.68 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.199 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -145.16 143.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.29 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.21 153.63 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.68 137.35 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.56 127.62 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -72.5 130.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 165.56 35.77 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -79.6 -4.52 51.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.581 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -72.82 144.12 47.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -98.16 147.48 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.48 -21.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.54 144.53 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 110.525 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' G' ' 35' ' ' MET . 20.1 tt -146.74 145.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.74 144.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.78 145.51 14.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.38 145.11 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.7 mtt -144.27 125.44 14.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' H' ' 37' ' ' GLY . 12.2 t -93.64 139.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' H' ' 36' ' ' VAL . . . 59.33 125.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -90.42 -166.22 41.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -94.94 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.53 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 22' ' ' GLU . 77.4 tttt -117.21 116.81 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 144.54 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.194 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.74 144.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.747 0.308 . . . . 0.0 110.502 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 29.8 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.299 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -145.21 143.86 30.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.343 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.12 158.18 41.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.601 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -124.71 129.51 50.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 10.8 p-10 -125.51 131.5 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 25' ' ' GLY . 34.9 t -144.47 -30.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' VAL . . . -58.19 -116.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HG ' ' H ' ' A' ' 28' ' ' LYS . 9.8 p -63.53 -175.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.545 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 27' ' ' ASN . 46.1 t-20 -68.33 -36.54 79.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' H ' ' HG ' ' A' ' 26' ' ' SER . 11.9 pttm -173.83 168.59 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.04 -6.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 140.56 30.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 35' ' ' MET . 12.5 tt -146.37 145.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.342 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 pt -146.01 143.86 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.318 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.07 145.91 15.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 ' C ' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -145.96 144.51 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.651 0.262 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 34' ' ' LEU . 4.2 mpp? -144.05 121.96 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.69 134.53 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . 72.44 38.59 57.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -44.81 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -98.1 128.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.532 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.52 ' CD ' ' H ' ' B' ' 15' ' ' GLN . 3.2 mp0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -117.49 122.08 42.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' B' ' 17' ' ' LEU . 1.2 tt -143.79 143.87 31.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.209 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -146.32 143.51 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.727 0.299 . . . . 0.0 110.329 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' CE2' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 144.88 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.517 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -144.29 142.99 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.13 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 140.7 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' LYS . 54.5 mm-40 -133.28 131.01 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -125.57 133.62 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -82.17 -28.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.73 121.32 0.56 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -163.14 164.36 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.98 68.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -144.11 171.39 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -69.36 112.56 4.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 135.57 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -145.93 144.83 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -146.27 143.38 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.312 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.9 147.46 18.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' B' ' 34' ' ' LEU . 1.1 mp -144.9 143.31 30.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' ILE . 14.5 ptm -146.24 132.18 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.66 158.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.49 -83.81 1.06 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.28 -171.82 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -143.17 147.38 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 22' ' ' GLU . 45.2 mttp -122.56 116.35 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.401 ' H ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.34 144.39 31.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 m -146.92 144.33 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.511 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' B' ' 19' ' ' PHE . 18.4 p90 -145.07 143.89 30.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.293 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 3.2 p90 -145.52 144.58 30.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.323 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.34 151.27 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -145.26 130.98 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' C' ' 23' ' ' ASN . 15.2 p-10 -123.62 123.27 40.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.48 -36.4 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.31 41.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.0 p -94.41 -94.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.528 ' C ' HD21 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -154.75 -172.65 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.75 -140.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . 73.74 69.86 1.33 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 145.01 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.55 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -145.85 145.54 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -143.7 141.45 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.111 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.12 144.41 12.81 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.76 144.58 30.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.629 0.252 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.46 126.12 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.492 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.82 157.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 52.78 51.19 46.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -93.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -148.91 154.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.561 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -131.47 139.9 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.92 144.4 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.205 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CZ ' ' D' ' 20' ' ' PHE . 77.2 t -146.02 143.01 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.707 0.289 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -145.89 144.72 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.429 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' D' ' 19' ' ' PHE . 31.4 m-85 -144.58 143.56 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.219 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.14 158.58 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 16' ' ' LYS . 26.6 mt-10 -141.79 129.69 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -123.88 129.17 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.62 -38.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 -106.03 0.9 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.4 m -130.55 -176.63 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.529 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.622 ' C ' ' H ' ' D' ' 29' ' ' GLY . 5.9 m120 -156.26 -64.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm 67.3 -35.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' D' ' 27' ' ' ASN . . . -162.78 101.71 0.19 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.69 132.84 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 pt -145.39 144.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.373 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -144.02 141.7 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.424 ' C ' ' CD2' ' D' ' 34' ' ' LEU . . . -147.28 144.58 12.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' D' ' 34' ' ' LEU . 0.1 OUTLIER -146.54 146.44 30.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.463 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -135.85 140.95 44.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.25 158.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' D' ' 38' ' ' GLY . . . 71.43 31.22 65.95 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . -58.4 -121.02 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 24.7 m -95.65 133.46 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.543 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.581 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.95 132.31 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.425 HD11 ' H ' ' E' ' 17' ' ' LEU . 0.3 OUTLIER -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.219 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.64 143.24 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.347 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 19.7 p90 -146.7 145.65 30.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -145.99 145.54 30.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.373 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.13 157.91 22.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -145.2 141.92 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . 0.655 HD21 ' N ' ' E' ' 23' ' ' ASN . 0.7 OUTLIER -96.23 124.66 40.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -87.42 -10.54 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.31 -90.08 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -157.58 54.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 110.579 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.437 HD22 ' H ' ' F' ' 15' ' ' GLN . 57.9 m-80 -75.64 171.74 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -168.91 89.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . 153.2 87.71 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.4 34.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.38 144.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.401 HG23 ' CE2' ' E' ' 19' ' ' PHE . 2.2 mp -144.44 142.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.238 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.69 144.85 13.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 144.54 30.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.642 0.258 . . . . 0.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.2 OUTLIER -138.94 122.03 16.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -120.46 150.96 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' E' ' 39' ' ' VAL . . . -158.09 118.34 0.83 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.22 33.57 1.31 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' E' ' 37' ' ' GLY . 11.0 p -150.85 143.11 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.536 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.437 ' H ' HD22 ' E' ' 27' ' ' ASN . 33.7 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -129.67 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.99 144.3 31.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -145.26 142.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.718 0.294 . . . . 0.0 110.289 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -145.06 143.78 30.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.286 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.2 t80 -145.03 143.76 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -131.11 140.17 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.545 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.0 129.74 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -125.51 144.6 50.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.79 -73.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.34 -92.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -153.82 139.08 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.73 149.42 26.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -173.48 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 27.16 68.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.36 140.76 36.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.613 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 tt -145.96 145.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.305 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pp -146.13 143.85 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.33 145.36 14.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.411 HD13 ' H ' ' F' ' 34' ' ' LEU . 0.2 OUTLIER -146.44 144.96 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptp -145.53 148.07 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 p -110.43 128.74 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . -82.36 -84.06 0.82 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . 56.76 63.09 5.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.12 141.02 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.571 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.405 ' H ' ' HB3' ' H' ' 22' ' ' GLU . 49.4 mttp -130.28 139.54 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.623 ' N ' ' CD1' ' G' ' 17' ' ' LEU . 0.0 OUTLIER -143.24 143.35 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.078 179.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.04 144.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.593 ' CZ ' ' CD1' ' F' ' 19' ' ' PHE . 25.5 p90 -146.22 144.83 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.71 145.29 30.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.9 148.65 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -125.99 139.63 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -93.22 128.57 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.9 -30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.5 -85.77 0.92 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 14.8 t -168.67 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 5.3 m-20 48.05 -163.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -162.36 -26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -164.52 129.78 2.05 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.25 143.55 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.4 tt -146.45 146.1 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.361 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mp -144.36 142.59 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.42 144.9 13.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' G' ' 34' ' ' LEU . 0.7 OUTLIER -145.32 143.53 30.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.242 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.9 ptp -146.04 136.49 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -94.36 149.64 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.33 -36.12 9.06 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.8 26.02 69.63 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.0 155.49 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' H' ' 28' ' ' LYS . 4.6 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.509 ' NE2' ' OD1' ' G' ' 27' ' ' ASN . 7.7 tp-100 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -138.16 136.22 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' H' ' 17' ' ' LEU . 1.4 pt? -144.02 143.95 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.201 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.51 143.61 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.32 . . . . 0.0 110.342 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -145.36 144.14 30.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.333 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -145.04 143.92 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.237 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.51 150.23 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' G' ' 16' ' ' LYS . 28.5 tt0 -117.17 130.18 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.91 146.8 47.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.86 -54.05 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.8 106.86 3.08 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m 58.89 -142.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -160.23 54.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' G' ' 40' ' ' VAL . 47.0 pttt -169.78 130.69 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 144.05 -49.5 0.7 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.92 143.55 27.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.33 145.74 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.59 143.29 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.52 145.18 13.81 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.459 ' C ' ' SD ' ' H' ' 35' ' ' MET . 0.2 OUTLIER -145.34 143.87 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -142.48 137.38 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 110.521 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.6 t -110.54 140.38 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 77.21 26.01 62.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -79.66 -129.34 0.71 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.99 145.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.58 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -137.66 120.3 16.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 143.7 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.134 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.53 143.65 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.28 144.19 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -145.52 144.44 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.342 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 147.34 33.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -145.24 150.84 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.697 HD21 ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -116.87 141.43 48.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.622 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' H ' ' NE2' ' B' ' 15' ' ' GLN . 42.3 t -88.83 -47.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.12 -152.74 5.8 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 55.05 -154.38 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -90.69 -124.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -169.34 77.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.32 30.1 10.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 141.66 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.548 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.23 146.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.358 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mp -144.18 142.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.165 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.47 144.78 13.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.02 144.97 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.694 0.283 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -142.78 145.24 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.583 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.29 119.74 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.85 -67.2 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.22 -139.99 1.06 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.54 136.48 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.586 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.613 ' NE2' ' H ' ' A' ' 24' ' ' VAL . 17.8 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -116.62 132.13 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' B' ' 17' ' ' LEU . 1.4 pt? -144.05 143.92 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.169 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.62 144.74 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -146.25 145.05 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 3.3 p90 -145.77 145.23 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.393 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.56 142.96 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -130.21 126.51 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 15' ' ' GLN . 17.0 m120 -95.51 126.73 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.31 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.06 -167.97 27.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.7 p -47.53 125.14 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -145.81 159.76 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.15 -168.66 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.19 118.92 5.64 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.27 144.96 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.588 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -145.86 144.87 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.37 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.77 141.75 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.095 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.7 145.31 14.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.66 144.2 30.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.0 ptm -144.83 129.35 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' B' ' 37' ' ' GLY . 12.6 p -90.96 157.9 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' VAL . . . 59.86 133.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.79 -117.71 0.54 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.4 160.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.59 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.522 HE22 ' N ' ' D' ' 25' ' ' GLY . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -105.93 117.97 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' C' ' 17' ' ' LEU . 1.5 pt? -143.75 143.51 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.161 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -146.95 144.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.04 143.41 30.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.218 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -146.49 145.74 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.429 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.15 150.7 42.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -145.36 128.83 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . 0.594 HD21 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -125.85 129.61 49.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 m -86.39 -33.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.428 ' O ' ' OG ' ' C' ' 26' ' ' SER . . . 155.73 96.83 0.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' C' ' 25' ' ' GLY . 6.4 m -166.97 -144.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.487 ' O ' ' NE2' ' D' ' 15' ' ' GLN . 22.4 m120 -57.87 154.97 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' C' ' 30' ' ' ALA . 53.5 mtpt -112.47 -40.44 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . -53.24 85.38 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -142.27 145.34 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 tt -145.82 145.61 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -143.93 141.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.76 144.17 12.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.672 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -145.24 143.71 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.5 ptm -145.71 142.04 28.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -128.29 146.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.27 29.81 9.25 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.22 -121.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.01 135.41 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.599 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 27' ' ' ASN . 81.9 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -130.21 129.98 44.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.432 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.76 143.54 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -147.77 144.68 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 13.6 p90 -146.09 144.97 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.435 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.2 144.19 51.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.464 ' C ' HD21 ' D' ' 23' ' ' ASN . 59.4 tt0 -135.26 140.9 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . 0.501 ' N ' HD21 ' D' ' 23' ' ' ASN . 1.0 OUTLIER -112.89 146.97 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.35 -14.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.522 ' N ' HE22 ' C' ' 15' ' ' GLN . . . -105.61 -57.66 0.66 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -161.97 151.89 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.576 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -87.66 142.24 27.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -147.19 172.95 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.41 117.49 7.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.7 144.68 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 tt -146.0 145.54 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.01 140.79 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.98 145.17 13.65 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.95 144.77 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 128.63 17.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.442 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.19 142.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . 95.24 108.79 2.27 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.14 -130.93 1.16 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.05 141.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.519 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' F' ' 22' ' ' GLU . 2.9 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' F' ' 22' ' ' GLU . 30.7 mttm -135.12 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.93 144.03 31.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.08 144.28 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.45 144.65 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 33.4 p90 -145.16 143.91 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.234 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.72 152.61 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -144.94 127.27 15.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.7 136.07 53.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.42 ' H ' ' NE2' ' F' ' 15' ' ' GLN . 60.5 t -85.19 -35.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.626 ' H ' ' NE2' ' F' ' 15' ' ' GLN . . . 172.55 -89.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 31.5 t 54.79 -118.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.623 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.435 ' N ' ' OG ' ' E' ' 26' ' ' SER . 72.8 m-80 -151.47 -165.85 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -81.98 -149.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.35 56.21 24.79 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.01 124.71 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -146.28 146.12 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.46 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -145.92 143.39 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.4 145.32 14.14 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -144.64 143.13 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 13.0 ptm -145.73 127.68 15.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 12.7 p -100.33 145.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.74 160.08 25.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.5 -108.54 0.27 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -146.36 137.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.541 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.626 ' NE2' ' H ' ' E' ' 25' ' ' GLY . 58.6 mt-30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -124.54 117.11 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.409 ' H ' HD13 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.99 143.82 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.156 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -147.49 144.64 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 6.9 p90 -145.45 144.67 30.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.381 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.1 t80 -144.48 143.35 30.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.205 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -121.38 158.77 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.548 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' E' ' 16' ' ' LYS . 27.5 tt0 -135.15 126.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.95 132.95 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -84.25 -13.13 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.53 -159.01 9.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.5 ' HG ' ' H ' ' F' ' 27' ' ' ASN . 10.6 t -49.15 164.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.668 HD22 ' N ' ' G' ' 15' ' ' GLN . 0.8 OUTLIER -100.52 154.21 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -104.62 -9.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.19 67.45 0.13 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.9 135.76 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 tt -145.52 145.31 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -143.31 140.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.77 145.55 14.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.82 146.04 30.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.682 0.277 . . . . 0.0 110.444 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptp -145.78 126.91 14.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.568 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.18 143.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' F' ' 38' ' ' GLY . . . 160.84 -84.13 0.12 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 55.03 163.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -151.62 134.43 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.558 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.668 ' N ' HD22 ' F' ' 27' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' CB ' ' G' ' 16' ' ' LYS . 9.1 mtmp? -136.66 127.17 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.6 pt? -143.97 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.7 142.87 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.305 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -146.12 144.38 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.396 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.97 145.28 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.371 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 158.15 38.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -140.93 127.96 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' G' ' 24' ' ' VAL . 60.0 t-20 -103.49 144.42 31.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.483 ' N ' ' OD1' ' G' ' 23' ' ' ASN . 14.6 p -159.04 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.9 -143.98 4.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -79.69 -178.41 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 64.7 t-20 -158.87 142.2 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' G' ' 27' ' ' ASN . 8.5 ptmm? -157.72 52.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.477 ' O ' ' CA ' ' H' ' 37' ' ' GLY . . . 92.78 110.09 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.77 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -145.97 145.38 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -143.44 141.39 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.087 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.12 145.26 13.8 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.513 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.7 OUTLIER -144.61 143.38 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.436 ' O ' ' O ' ' H' ' 31' ' ' ILE . 12.4 ptm -146.21 135.3 22.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.8 129.69 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.52 178.64 21.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.64 -62.35 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.0 136.8 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.518 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -131.43 129.56 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.18 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.185 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -147.14 144.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 25.2 p90 -144.44 143.29 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.304 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -145.35 143.9 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.273 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.37 152.79 42.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 110.552 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.73 134.09 55.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -126.0 146.37 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.32 -32.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.85 -84.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.516 ' O ' ' N ' ' H' ' 28' ' ' LYS . 6.4 t -171.24 64.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 49.94 -87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' H' ' 26' ' ' SER . 47.8 tttm -45.51 110.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.33 -35.41 0.6 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.82 135.67 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' G' ' 35' ' ' MET . 14.3 mt -146.34 145.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.94 143.46 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.257 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.46 145.65 14.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' H' ' 34' ' ' LEU . 1.4 pt? -146.34 144.87 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.619 0.247 . . . . 0.0 110.452 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtp -142.56 131.15 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.64 157.76 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' G' ' 29' ' ' GLY . . . 66.14 2.61 14.3 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 55.63 -130.76 48.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 p -151.87 136.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.562 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -138.09 126.2 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 143.92 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.172 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -146.85 143.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.381 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -145.61 144.55 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.315 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -145.54 144.5 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.7 156.17 46.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.1 134.51 26.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -99.45 135.15 41.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 m -83.69 5.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.45 -145.57 4.21 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' A' ' 27' ' ' ASN . 38.1 t -58.86 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.614 ' N ' ' HG ' ' A' ' 26' ' ' SER . 5.6 p-10 -161.23 -161.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 27' ' ' ASN . 13.3 ttpp 57.32 115.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.67 -50.82 0.82 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.76 132.87 42.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.47 146.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.416 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.49 142.99 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.157 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.87 15.18 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.08 143.4 30.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.34 130.31 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 0.0 110.537 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.59 ' N ' ' SD ' ' A' ' 35' ' ' MET . 74.4 t -105.19 144.72 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 60.1 49.39 79.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.06 143.38 43.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -86.37 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.618 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.449 ' NZ ' ' OE1' ' C' ' 22' ' ' GLU . 60.9 mttm -137.9 119.23 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.426 ' H ' HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.46 144.47 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.172 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.36 144.49 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 13.6 p90 -146.08 144.79 30.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.307 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.5 p90 -145.65 145.11 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.3 151.92 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -141.93 127.17 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 26' ' ' SER . 1.6 t-20 -125.68 120.58 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.09 62.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.18 -167.23 34.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' B' ' 23' ' ' ASN . 60.6 p -54.74 168.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.349 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.67 126.7 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -74.33 -30.92 62.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . 153.45 129.53 1.38 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.89 139.9 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -146.22 145.98 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.444 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -143.12 140.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.12 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.17 145.26 13.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 148.23 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.579 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ptp -128.22 129.7 46.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.95 140.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.67 156.44 26.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.68 153.87 13.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 m -85.51 160.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.532 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.549 ' NE2' ' H ' ' D' ' 24' ' ' VAL . 19.1 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -138.09 116.24 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.89 144.41 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -145.71 143.01 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -144.82 142.87 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.258 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 1.6 p90 -146.25 145.3 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.335 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 139.64 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.502 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.449 ' OE1' ' NZ ' ' B' ' 16' ' ' LYS . 47.1 mt-10 -136.26 128.58 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -110.55 139.71 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 m -79.17 9.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.02 -107.63 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 27' ' ' ASN . 49.3 m -140.87 -2.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' C' ' 26' ' ' SER . 2.6 m120 47.65 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -172.93 97.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.62 59.95 1.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.07 134.84 38.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mt -145.31 144.9 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -143.98 141.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.172 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.17 144.03 12.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.1 OUTLIER -146.77 145.83 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.81 139.3 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.56 150.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 63.89 23.72 67.74 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.51 -93.92 1.64 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.31 158.81 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.558 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -108.51 125.52 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.422 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.9 143.49 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.14 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' C' ' 20' ' ' PHE . 89.4 t -149.44 145.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 27.7 p90 -148.26 148.13 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 20.9 p90 -145.41 144.95 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.293 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.61 155.75 33.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -145.22 133.8 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -100.56 127.67 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.549 ' H ' ' NE2' ' C' ' 15' ' ' GLN . 86.8 t -80.04 -31.79 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.438 ' H ' HE22 ' C' ' 15' ' ' GLN . . . 165.55 35.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.446 ' H ' HE22 ' C' ' 15' ' ' GLN . 10.4 t -158.88 -124.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.56 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.41 ' N ' ' HG ' ' D' ' 26' ' ' SER . 0.2 OUTLIER 62.16 116.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -94.42 -46.92 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -152.69 143.67 10.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.62 145.67 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 tt -146.14 145.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.84 141.61 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.9 145.38 14.12 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.73 144.47 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 110.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.31 131.55 23.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 158.14 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.94 78.94 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 150.85 14.85 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.57 146.2 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.574 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' F' ' 22' ' ' GLU . 91.5 mttt -108.69 143.81 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 144.28 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.211 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -146.54 143.78 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' CE2' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.47 144.27 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.287 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 6.6 p90 -145.79 144.86 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.317 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.43 139.98 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -122.35 138.4 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -103.47 129.07 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 t -137.9 -44.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.09 -97.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.7 p -175.71 -66.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.339 . . . . 0.0 110.589 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.31 177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -161.23 112.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 87.86 48.07 4.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 141.29 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 pt -146.46 146.07 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.384 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -146.89 144.36 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.387 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.71 146.59 16.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.618 ' N ' ' CD2' ' E' ' 34' ' ' LEU . 0.3 OUTLIER -146.72 145.57 30.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 110.516 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.8 ptm -145.42 126.33 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.19 153.56 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' F' ' 28' ' ' LYS . . . -156.1 28.27 0.58 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.68 -162.55 37.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.52 139.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.555 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.596 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -105.97 127.3 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.424 ' H ' HD11 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.03 143.98 31.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.135 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -146.96 144.15 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.555 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 12.4 p90 -145.52 144.33 30.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.93 144.06 30.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.5 158.79 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' E' ' 16' ' ' LYS . 1.1 tm-20 -128.32 126.58 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' G' ' 15' ' ' GLN . 88.2 m-20 -116.01 146.28 42.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.01 -35.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.09 -109.3 3.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t 171.6 145.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -159.72 -57.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' E' ' 37' ' ' GLY . 10.9 tptp -160.89 -139.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.47 ' H ' ' CG ' ' F' ' 28' ' ' LYS . . . -107.13 173.03 18.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 136.15 29.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 tt -146.25 146.31 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -143.06 140.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.013 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.96 13.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' F' ' 34' ' ' LEU . 0.1 OUTLIER -146.21 144.97 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.65 0.262 . . . . 0.0 110.413 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ptm -146.19 125.86 13.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' F' ' 37' ' ' GLY . 16.7 m -98.6 156.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 36' ' ' VAL . . . 56.12 111.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . -159.27 -108.34 0.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.11 151.39 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.552 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' H' ' 22' ' ' GLU . 2.5 mm100 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -106.56 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.442 HD22 ' N ' ' G' ' 17' ' ' LEU . 0.4 OUTLIER -143.68 143.93 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.171 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -146.69 143.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.14 144.49 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.1 p90 -145.89 145.21 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.327 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.42 158.25 34.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.74 128.06 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -125.28 130.35 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.28 -19.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.07 14.44 52.07 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m 60.53 -174.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -176.58 167.8 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -79.19 -65.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.4 93.18 0.13 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.42 145.16 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.334 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -145.68 145.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -143.6 141.29 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.087 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -147.03 145.45 14.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 1.6 mp -144.78 143.41 30.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.496 ' O ' ' O ' ' H' ' 31' ' ' ILE . 11.3 ptm -145.85 131.12 18.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.83 153.32 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.16 36.6 89.34 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.41 176.1 42.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -106.67 148.51 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.576 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.58 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -135.55 127.63 29.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.43 ' H ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.53 144.42 31.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.98 144.82 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 29.1 p90 -143.95 142.67 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -145.12 143.29 30.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 110.258 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.47 146.0 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' G' ' 15' ' ' GLN . 5.0 pt-20 -143.2 129.54 19.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -125.66 142.41 51.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -85.06 43.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.24 149.9 21.63 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -86.75 -58.55 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.625 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.92 149.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -64.91 -177.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.4 -25.43 1.38 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.88 133.97 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' G' ' 35' ' ' MET . 12.7 tt -146.55 145.9 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 pt -145.95 143.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -147.23 146.16 15.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.11 145.0 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 0.0 110.432 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.5 mtp -140.56 131.2 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.495 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' H' ' 38' ' ' GLY . 16.6 t -97.93 141.83 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 -41.52 0.76 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . 77.82 -158.66 46.92 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -91.07 129.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 6.3 mp0 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -131.08 141.32 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.84 143.78 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.419 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.65 144.6 30.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -145.47 144.34 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.76 127.8 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.99 151.43 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -109.44 134.32 52.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 5.9 t -134.26 68.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.0 170.85 38.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -69.2 -56.3 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -62.77 165.91 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -154.27 142.58 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . 163.61 77.49 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.39 146.61 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 tp -146.27 145.48 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.401 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.64 143.53 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.222 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.83 15.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.12 143.64 30.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttm -140.89 134.3 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 110.588 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -126.27 155.55 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.38 61.78 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -177.36 2.39 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -86.95 145.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 24' ' ' VAL . 59.2 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -105.72 118.65 37.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.436 HD11 ' H ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.24 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.179 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -147.7 144.73 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' C' ' 19' ' ' PHE . 7.2 p90 -146.5 145.12 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.319 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -146.46 146.31 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.47 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.54 135.24 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -124.08 135.48 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -100.78 144.61 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.62 -30.33 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.94 -44.83 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 p -163.99 -159.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -159.14 -165.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -171.99 84.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.19 117.02 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.21 133.89 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.535 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 pt -145.15 144.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -143.96 141.81 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.229 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 144.32 12.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.5 146.86 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.504 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 15.4 ptm -144.42 141.71 29.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.611 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.89 117.6 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 140.07 7.11 1.0 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.06 -132.39 2.61 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.6 t -142.66 152.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.583 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' D' ' 22' ' ' GLU . 58.0 tttp -107.07 129.95 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.626 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 144.33 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.197 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -146.66 143.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.427 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' CE2' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 144.43 30.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -145.87 144.89 30.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.345 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.1 127.94 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -120.82 142.88 49.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -122.27 141.49 51.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -145.82 56.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.88 -77.1 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.9 t -156.33 149.78 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -171.38 37.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -65.83 163.86 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.25 23.84 19.59 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.69 139.63 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -145.58 145.21 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.49 141.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.091 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.66 144.8 13.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.1 OUTLIER -146.06 145.01 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.402 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ptp -145.08 138.06 26.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.27 124.55 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 143.09 -38.88 1.37 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 44.63 -163.4 0.06 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -107.87 140.09 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.553 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -128.67 131.02 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.431 ' H ' HD11 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.92 143.98 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.163 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 t -146.72 144.0 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.455 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 31.8 p90 -145.08 144.0 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 21' ' ' ALA . 15.0 t80 -144.87 143.5 30.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.237 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' D' ' 20' ' ' PHE . . . -125.35 150.45 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 16' ' ' LYS . 35.0 tt0 -144.46 129.49 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -93.77 143.5 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.35 -31.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.77 -28.45 0.11 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -58.44 171.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' D' ' 27' ' ' ASN . 0.7 OUTLIER -127.97 104.25 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -142.83 168.2 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -92.25 148.73 19.3 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.26 145.21 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 tt -146.2 145.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.93 141.56 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.079 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.25 145.11 13.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 146.14 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ptp -144.78 134.54 23.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 t -103.17 118.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.64 -154.46 22.81 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.07 6.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.03 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.571 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.593 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.533 ' OE1' ' N ' ' E' ' 15' ' ' GLN . 2.3 pm0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -106.08 137.05 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.512 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.98 142.83 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.156 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.51 142.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.84 144.81 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 20.9 p90 -145.65 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.274 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.9 140.14 53.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.59 136.2 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' E' ' 23' ' ' ASN . 1.5 m120 -119.41 137.19 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.99 51.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.14 -109.64 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -164.83 142.39 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 6.8 p-10 -154.28 -51.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt 44.85 74.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' F' ' 37' ' ' GLY . . . 149.11 62.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.83 40.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.3 145.31 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.352 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.65 144.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.83 145.93 15.29 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -145.45 144.39 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' E' ' 35' ' ' MET . 11.5 tmm? -143.64 144.35 31.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.54 154.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 78.91 64.38 1.95 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.483 ' O ' ' NZ ' ' F' ' 28' ' ' LYS . . . -71.84 -165.24 7.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.98 143.22 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.562 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.44 ' NE2' HD22 ' G' ' 27' ' ' ASN . 38.1 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -119.17 140.52 50.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.431 ' H ' HD11 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.82 143.64 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.129 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.38 144.44 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 8.9 p90 -145.53 144.59 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.321 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.9 t80 -145.31 144.4 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.266 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -122.31 156.32 34.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -145.03 138.68 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -121.21 120.25 34.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.54 -29.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.38 -86.67 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -52.34 144.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -172.27 170.54 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' E' ' 38' ' ' GLY . 19.8 ttpp -172.15 -72.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -154.91 138.38 6.1 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.49 34.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.593 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.54 144.89 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.427 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -143.62 141.44 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.57 144.55 12.86 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -145.19 144.31 30.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -145.64 126.69 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.495 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.33 144.12 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' E' ' 29' ' ' GLY . . . -137.96 173.33 22.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' E' ' 27' ' ' ASN . . . -109.14 -51.5 0.67 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -86.07 142.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.507 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -138.16 130.35 28.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.6 pt? -144.36 144.67 31.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.284 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.78 143.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.297 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.75 144.06 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.4 p90 -145.85 145.16 30.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.335 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 157.99 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' G' ' 22' ' ' GLU . 9.0 mp0 -141.18 126.92 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -125.64 143.21 51.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 -40.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.11 -118.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -164.66 63.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.44 HD22 ' NE2' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -46.48 146.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' CB ' ' G' ' 28' ' ' LYS . 6.6 ttpm? -75.21 -39.92 59.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -166.34 126.99 1.53 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 145.18 33.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 11.4 tt -145.45 144.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mp -143.11 141.1 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.91 144.97 13.28 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 1.2 mp -145.53 144.5 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ptm -145.04 130.72 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' G' ' 37' ' ' GLY . 4.0 p -94.85 158.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.44 ' N ' ' CG2' ' G' ' 36' ' ' VAL . . . -143.36 -85.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.04 -104.32 0.29 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 t -136.39 129.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.592 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -137.99 118.09 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.03 144.11 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -146.47 143.91 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -144.78 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -145.38 143.96 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.4 128.28 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -119.56 127.75 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -118.84 141.85 48.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 t -51.14 143.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 44.05 -133.87 6.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -52.81 166.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.48 108.69 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -161.16 -14.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.17 -22.67 60.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.31 141.38 28.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -146.96 146.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 0.577 ' CD1' ' N ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.08 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.438 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.6 145.12 13.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.86 145.94 30.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.675 0.274 . . . . 0.0 110.458 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 62.4 mtt -139.17 139.51 37.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.58 132.78 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.524 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 124.36 -54.38 0.73 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.14 -161.89 40.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.43 150.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.307 . . . . 0.0 110.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.567 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.515 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.39 129.58 27.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.98 144.06 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.217 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.94 143.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.452 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -145.39 144.33 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.54 152.87 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.06 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.452 HD21 ' CG ' ' B' ' 15' ' ' GLN . 10.1 t-20 -102.93 135.15 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 t -145.55 97.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.03 169.81 12.53 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 t -76.01 179.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 48.28 52.0 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -59.4 139.9 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . 178.85 85.99 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.92 145.7 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.556 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.81 145.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.89 143.63 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.259 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.79 146.05 15.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.94 143.25 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mtt -141.5 138.53 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.88 124.05 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 157.62 -77.61 0.19 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.31 1.85 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.01 159.73 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.571 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.51 ' CD ' ' H ' ' B' ' 15' ' ' GLN . 10.6 mp0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -138.13 126.44 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' B' ' 17' ' ' LEU . 1.6 pt? -144.47 144.61 31.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.66 144.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 2.9 p90 -146.05 145.03 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.9 p90 -145.31 144.48 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.6 135.01 46.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -118.55 128.96 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -124.92 126.23 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 m -81.6 -38.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -159.91 -43.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -64.07 76.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' GLY . 0.3 OUTLIER -100.03 -68.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm 61.41 -72.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . -166.97 132.68 2.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.92 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 tt -145.69 145.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.373 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -144.36 142.32 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.284 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.55 12.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.17 148.33 30.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.605 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -140.66 139.06 34.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.13 133.61 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 104.95 69.34 0.76 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 -109.8 0.51 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -152.73 138.32 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.572 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -106.8 134.91 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.87 144.04 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -144.84 142.73 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.364 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.9 t80 -142.52 140.43 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.932 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.51 143.01 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.228 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.85 158.05 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -142.8 129.32 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . 0.507 ' C ' HD21 ' C' ' 23' ' ' ASN . 0.2 OUTLIER -125.8 123.27 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -89.08 -49.52 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.12 172.4 0.31 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -98.99 -6.55 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -157.02 121.24 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -161.29 95.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.58 103.23 0.21 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.1 142.76 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.15 146.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.7 pt -146.07 144.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.394 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 145.01 13.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.99 145.2 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.635 0.255 . . . . 0.0 110.471 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttp -136.96 144.4 43.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.78 117.7 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 124.5 45.68 0.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.28 149.43 43.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 t -86.22 142.91 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.613 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -105.76 121.96 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.507 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.34 144.5 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.25 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -146.98 144.33 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 1.6 p90 -146.4 145.17 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.473 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -145.57 144.83 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.329 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.83 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -145.33 126.97 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . 0.593 ' N ' HD21 ' D' ' 23' ' ' ASN . 0.2 OUTLIER -125.37 142.12 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.41 -20.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.3 -68.49 1.42 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -170.11 133.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.701 HD22 HE22 ' E' ' 15' ' ' GLN . 2.3 p-10 -147.54 118.94 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -80.49 -34.58 35.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -176.5 142.98 6.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.31 40.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.97 145.4 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.4 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' E' ' 34' ' ' LEU . 4.1 mp -143.41 141.4 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.056 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.8 145.03 13.42 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.75 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.628 0.251 . . . . 0.0 110.401 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ptp -143.43 132.98 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -133.16 133.01 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.78 113.41 0.57 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.25 146.36 7.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.18 160.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.574 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.701 HE22 HD22 ' D' ' 27' ' ' ASN . 7.9 mt-30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -110.76 133.96 52.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.438 HD21 ' N ' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -143.89 144.29 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 179.671 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.9 143.89 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.735 0.302 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.65 144.79 30.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.372 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 3.6 p90 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.308 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.68 150.89 48.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.15 145.35 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . 0.727 HD21 ' H ' ' E' ' 24' ' ' VAL . 0.8 OUTLIER -99.05 141.29 31.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.727 ' H ' HD21 ' E' ' 23' ' ' ASN . 17.4 m -135.69 32.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.452 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . -178.93 -103.31 0.17 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.418 ' HG ' ' C ' ' E' ' 25' ' ' GLY . 5.1 m -151.19 82.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 6.6 p-10 -66.65 156.62 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -172.76 139.17 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.37 27.62 53.69 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.85 141.04 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -145.3 144.8 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.344 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.49 ' O ' ' O ' ' D' ' 34' ' ' LEU . 1.7 pt -146.3 143.5 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.4 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.22 146.35 16.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.463 HD13 ' H ' ' E' ' 34' ' ' LEU . 0.2 OUTLIER -146.89 145.79 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.408 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -144.38 145.1 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.84 153.73 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.23 -106.48 0.19 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.43 103.38 1.21 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.57 148.62 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.58 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.422 HE21 ' CG1' ' F' ' 36' ' ' VAL . 15.1 pt20 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -105.9 125.88 51.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.44 HD13 ' H ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.95 143.77 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.205 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -146.74 144.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 10.9 p90 -145.18 144.07 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.316 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 20.9 t80 -144.78 143.57 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.536 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -125.41 155.65 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -142.86 132.06 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.69 129.23 49.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.576 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -52.67 -54.51 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 53.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.711 ' HG ' ' H ' ' F' ' 27' ' ' ASN . 84.2 p -147.19 -75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.595 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.711 ' H ' ' HG ' ' F' ' 26' ' ' SER . 19.3 p-10 -67.03 138.7 57.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -137.91 121.43 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.96 91.02 0.14 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.96 145.85 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -146.02 145.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mp -143.74 141.52 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.07 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.97 13.24 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.04 146.17 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.704 0.287 . . . . 0.0 110.446 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.05 127.84 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.422 ' CG1' HE21 ' F' ' 15' ' ' GLN . 5.2 m -130.84 127.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.3 109.26 0.53 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.45 29.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 29.8 m -113.87 156.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.577 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' H' ' 26' ' ' SER . 9.8 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -105.92 134.48 48.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.6 pt? -144.15 144.29 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.249 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.12 143.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.373 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.61 143.92 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.302 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 4.8 p90 -145.73 144.89 30.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.98 149.2 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -143.41 131.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -103.83 140.58 37.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.18 28.78 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.46 -98.69 0.11 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 55.0 p -161.42 -176.74 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.603 HD21 ' N ' ' G' ' 28' ' ' LYS . 2.3 p-10 -165.87 -155.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.603 ' N ' HD21 ' G' ' 27' ' ' ASN . 47.5 tttp -154.62 75.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 116.33 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.54 145.13 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.622 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.49 144.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -143.59 141.57 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.02 145.19 13.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.1 OUTLIER -144.86 143.55 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -146.15 138.34 25.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.619 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.44 144.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' H' ' 29' ' ' GLY . . . 76.64 89.16 0.28 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . -106.73 -141.75 10.37 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.65 136.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.575 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.456 ' NZ ' ' CB ' ' H' ' 16' ' ' LYS . 9.2 mtmp? -130.54 118.56 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.41 144.4 31.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.195 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.54 144.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 0.0 110.424 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' H' ' 19' ' ' PHE . 25.6 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.275 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.21 143.81 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.282 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.93 158.16 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -143.53 137.87 28.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -119.82 135.92 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -168.22 145.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.26 -57.18 4.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.496 ' O ' ' NE2' ' G' ' 15' ' ' GLN . 20.6 p -175.32 113.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' H' ' 29' ' ' GLY . 1.3 t30 -139.72 112.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -67.57 -26.94 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' G' ' 38' ' ' GLY . . . 162.01 148.63 5.39 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.05 139.54 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 tt -146.87 146.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.442 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.53 144.39 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.44 145.35 14.18 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.97 144.61 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.655 0.264 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 47.4 mtm -144.53 127.78 16.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' H' ' 38' ' ' GLY . 31.0 m -111.32 150.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.68 1.22 3.35 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . -51.11 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.06 130.74 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.575 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -134.79 139.78 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.9 143.83 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.161 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -146.73 144.08 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -144.59 143.41 30.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -145.05 143.54 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.231 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 157.33 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -120.72 134.78 55.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -107.41 140.19 40.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 25' ' ' GLY . 9.1 p -84.54 -46.15 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -112.18 -18.8 7.5 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 25' ' ' GLY . 90.8 p 50.92 79.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.531 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -154.75 70.32 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt 48.91 43.39 21.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.598 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.71 -48.5 0.96 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.6 136.35 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mt -146.44 145.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -146.48 144.1 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.429 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 145.73 14.92 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.39 145.01 30.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ttt -139.1 131.32 28.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -112.98 141.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.21 47.47 17.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.86 -152.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.7 151.77 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.536 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -105.83 131.03 53.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' B' ' 17' ' ' LEU . 1.6 pt? -144.15 144.33 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.265 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.33 143.74 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.392 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 143.86 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.277 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.4 p90 -145.83 145.12 30.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.06 147.62 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.13 128.57 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.28 143.02 50.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.42 23.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 26' ' ' SER . . . 164.48 174.24 34.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 25' ' ' GLY . 7.3 m 59.87 147.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -153.28 28.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.33 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 124.81 0.97 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.8 142.59 33.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -145.86 145.56 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.404 HG21 ' N ' ' B' ' 33' ' ' GLY . 2.1 mp -143.87 141.61 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.089 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.404 ' N ' HG21 ' B' ' 32' ' ' ILE . . . -146.81 145.04 13.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' B' ' 34' ' ' LEU . 0.7 OUTLIER -144.77 143.6 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.9 ptm -145.27 134.83 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -125.35 131.55 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . 149.73 -99.63 0.2 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 37' ' ' GLY . . . 60.4 135.18 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' B' ' 40' ' ' VAL . 7.3 p -144.61 160.16 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.346 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.423 ' N ' ' CG2' ' B' ' 39' ' ' VAL . 17.3 m . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.614 ' NE2' HD21 ' D' ' 23' ' ' ASN . 24.8 mm-40 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -112.41 123.68 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.415 HD11 ' H ' ' C' ' 17' ' ' LEU . 0.3 OUTLIER -143.71 143.55 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.09 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -147.18 144.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 9.9 p90 -145.52 144.45 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 21' ' ' ALA . 9.9 t80 -144.88 143.86 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.234 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' C' ' 20' ' ' PHE . . . -123.17 158.2 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.547 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' D' ' 15' ' ' GLN . 41.6 tt0 -135.23 142.42 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -125.63 120.15 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -117.44 16.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.14 -131.91 2.04 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -99.66 127.86 45.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.593 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.484 ' C ' HD21 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -58.22 -179.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -157.42 -56.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 162.74 78.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.72 137.01 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 tt -146.1 145.82 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -143.23 140.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' D' ' 33' ' ' GLY . . . -147.69 145.41 14.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.93 146.22 30.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.461 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.3 ptm -145.73 129.98 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -125.1 158.68 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.29 120.28 1.18 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.82 -113.34 0.45 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -153.44 146.03 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.533 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' C' ' 22' ' ' GLU . 74.1 mt-30 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' C' ' 22' ' ' GLU . 39.9 tttp -110.51 135.95 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.98 144.27 31.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.78 144.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.25 143.97 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -145.67 144.79 30.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.322 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.47 144.43 51.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -139.43 128.31 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASN . . . . . 0.614 HD21 ' NE2' ' C' ' 15' ' ' GLN . 3.5 m120 -115.58 144.51 43.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.11 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.75 69.33 0.05 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -177.09 57.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.51 140.02 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -159.48 103.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.93 85.18 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.39 139.67 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.67 146.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.85 143.52 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' C' ' 33' ' ' GLY . . . -146.32 145.36 14.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.645 ' CD1' ' N ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -144.3 142.85 30.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.8 ptm -145.69 135.61 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.72 153.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 29' ' ' GLY . . . 83.53 -61.92 4.69 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.18 -158.22 26.43 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.89 154.38 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.6 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -132.39 134.82 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.518 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.409 ' H ' HD11 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -144.05 143.97 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.189 179.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -146.7 143.94 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 14.4 p90 -145.26 143.92 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 11.2 p90 -145.51 144.69 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.349 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.84 152.62 29.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -145.16 132.89 21.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASN . . . . . 0.634 HD22 ' N ' ' E' ' 26' ' ' SER . 2.0 t-20 -98.67 146.06 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.571 ' H ' HD21 ' E' ' 23' ' ' ASN . 6.7 m -123.38 18.7 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.519 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . 175.19 -57.79 0.12 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.634 ' N ' HD22 ' E' ' 23' ' ' ASN . 6.3 t -167.44 122.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 13.7 p-10 -86.53 172.52 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' F' ' 38' ' ' GLY . 63.4 mttm -143.24 68.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.53 130.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 145.38 33.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 tt -145.99 145.53 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mp -144.12 141.93 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.135 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 144.68 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -146.59 145.63 30.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.9 ptp -144.88 123.92 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.548 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -110.8 130.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' F' ' 29' ' ' GLY . . . -132.27 158.07 22.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.08 151.07 5.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.61 129.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.582 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.538 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -135.01 144.26 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -143.24 143.07 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.128 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.75 142.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.307 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.16 144.94 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 1.1 p90 -145.6 144.69 30.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.53 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.516 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -140.53 149.01 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -98.58 146.58 25.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -133.71 -9.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.9 -111.7 0.61 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t 174.94 77.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -92.01 -152.5 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -168.99 135.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 89.97 68.46 1.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 140.33 34.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 tt -146.46 146.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.406 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.28 143.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.274 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.96 146.27 15.96 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.09 144.7 30.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 110.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.69 139.5 28.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.65 155.79 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.41 62.76 2.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' E' ' 28' ' ' LYS . . . -83.93 -122.98 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 t -112.26 147.13 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.557 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -105.77 135.08 47.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.625 ' CD2' ' N ' ' G' ' 17' ' ' LEU . 1.3 pt? -144.21 144.29 31.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.17 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.18 144.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.8 OUTLIER -146.46 144.76 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.326 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.79 145.45 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.338 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.53 158.4 29.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' H' ' 16' ' ' LYS . 51.1 mt-10 -139.19 142.12 37.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -125.12 140.39 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.68 -16.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.88 -112.36 0.79 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -161.23 97.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.85 -178.04 5.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -164.06 93.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . 135.79 98.1 0.54 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.05 131.15 28.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -146.39 145.87 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -144.05 142.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.33 143.9 12.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.09 146.64 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.7 ptp -142.36 145.53 34.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 m -123.16 133.46 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.09 -15.37 54.17 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -132.63 11.0 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -106.97 142.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.526 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.558 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' G' ' 22' ' ' GLU . 16.2 mtmm -129.45 133.55 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.67 31.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -147.4 144.44 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.487 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -145.31 144.57 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.343 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -145.54 144.07 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.231 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -137.05 130.71 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -121.97 136.64 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -96.01 -16.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.54 -110.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -153.42 -106.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -72.94 -119.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -59.86 169.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.76 -61.5 0.38 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.32 145.64 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -146.1 145.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.42 143.25 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.227 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.86 145.75 14.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.13 143.63 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mmt -142.81 130.06 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.511 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 t -106.77 158.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 49.88 24.04 5.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.81 -104.11 0.55 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 t -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.565 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 22' ' ' GLU . 11.4 ttmm -138.75 118.55 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.23 144.33 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.226 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -146.44 143.99 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.39 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -144.85 143.42 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.55 144.01 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.266 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.89 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.633 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -120.45 141.4 50.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 135.89 36.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -147.19 146.88 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.454 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 32' ' ' ILE . 9.2 pt -146.18 143.85 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.22 146.02 15.38 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.841 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.7 pt? -146.71 145.64 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 0.0 110.465 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 ttt -142.3 123.53 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 37' ' ' GLY . 7.4 p -108.26 158.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 36' ' ' VAL . . . 46.79 48.78 17.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.84 -126.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.59 144.89 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.518 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.498 ' CD ' ' N ' ' B' ' 15' ' ' GLN . 14.7 mp0 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.28 138.11 46.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 144.31 31.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.196 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.74 144.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.672 ' CE2' ' CE1' ' C' ' 19' ' ' PHE . 1.2 p90 -146.46 144.94 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.354 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -145.61 144.77 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.32 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.8 136.09 50.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.486 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' LYS . 28.5 mt-10 -136.1 127.46 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -111.11 139.39 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -128.96 21.86 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.33 157.46 27.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -79.47 72.92 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.407 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 14.7 p30 -80.06 171.64 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -82.68 -160.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.64 136.3 7.77 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.33 130.08 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.651 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.2 pp -146.0 145.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.369 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.48 143.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.285 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.71 146.44 16.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -145.95 144.57 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.658 0.266 . . . . 0.0 110.323 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.3 ptp -145.43 131.94 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.494 HG22 ' N ' ' B' ' 37' ' ' GLY . 5.8 p -114.57 157.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' D' ' 22' ' ' GLU . 30.4 tttp -128.1 116.88 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.642 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.27 144.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -145.96 143.04 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.324 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.754 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -144.92 143.76 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.275 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD2' HG23 ' D' ' 18' ' ' VAL . 0.1 OUTLIER -145.64 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.31 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 156.1 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -143.03 128.26 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASN . . . . . 0.421 HD22 ' N ' ' D' ' 15' ' ' GLN . 6.7 t-20 -125.02 126.62 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.65 -58.45 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.17 0.17 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -156.98 127.68 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -84.75 125.43 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.58 -58.6 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.57 107.3 0.31 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.3 137.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -145.75 145.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' D' ' 34' ' ' LEU . 32.9 mt -143.63 141.11 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.99 145.1 13.51 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -146.4 145.4 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.685 0.279 . . . . 0.0 110.427 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -144.38 137.99 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.92 150.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.421 ' N ' HD22 ' C' ' 23' ' ' ASN . 35.1 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' D' ' 16' ' ' LYS . 8.2 mtpm? -117.31 128.97 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.42 HD11 HD11 ' C' ' 32' ' ' ILE . 4.9 tt -143.89 144.39 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.481 HG23 ' CD2' ' C' ' 20' ' ' PHE . 2.8 m -145.68 142.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.319 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 3.8 t80 -144.84 143.26 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.701 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 20.4 m-85 -144.56 143.43 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.251 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.85 151.35 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 16' ' ' LYS . 36.8 mt-10 -145.68 127.05 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.54 145.73 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.97 61.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.48 -95.17 0.14 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -160.44 145.63 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' D' ' 28' ' ' LYS . 6.6 t-20 -123.28 -169.87 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' D' ' 27' ' ' ASN . 32.7 ttpt -163.52 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -156.56 102.54 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.94 145.53 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -145.65 145.1 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.6 mp -143.85 141.77 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.123 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.2 144.59 13.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.633 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -144.69 143.4 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptm -144.53 138.39 27.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.2 t -108.69 149.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.77 116.68 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.94 144.24 31.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.177 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.84 143.71 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' F' ' 19' ' ' PHE . 21.1 p90 -147.27 146.03 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.526 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -146.05 145.5 30.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.348 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.24 51.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -131.67 126.78 35.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -110.36 138.22 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -74.44 -63.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.48 -109.4 3.36 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -115.0 -168.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -168.13 170.7 10.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -81.64 -54.61 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.99 113.36 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.33 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.78 145.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.413 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.719 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.7 mp -143.6 141.46 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.062 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 145.13 13.59 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.02 144.73 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ptm -144.82 124.92 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.4 147.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -105.65 140.04 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.909 HD23 ' N ' ' F' ' 17' ' ' LEU . 0.8 OUTLIER -144.02 144.05 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.192 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -145.23 143.21 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.637 ' CE2' ' CD2' ' E' ' 19' ' ' PHE . 2.0 t80 -142.46 140.3 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.5 t80 -144.42 143.07 30.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.268 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.573 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -136.42 150.31 48.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -133.08 142.1 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -123.01 139.81 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.447 HG23 ' N ' ' F' ' 25' ' ' GLY . 35.1 m -67.14 -39.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.447 ' N ' HG23 ' F' ' 24' ' ' VAL . . . -169.22 -97.1 0.11 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -79.27 151.81 30.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' F' ' 28' ' ' LYS . 64.5 t-20 -163.5 144.08 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' F' ' 27' ' ' ASN . 12.6 ptpt -167.17 129.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.49 1.68 53.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 128.04 42.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 tt -146.39 145.84 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.461 HD12 ' CE1' ' F' ' 19' ' ' PHE . 9.2 pt -146.54 144.2 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 146.09 15.54 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.719 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -145.8 144.75 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.8 OUTLIER -140.97 137.12 32.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.523 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.416 HG12 ' O ' ' G' ' 30' ' ' ALA . 3.7 p -106.65 147.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -109.58 132.32 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.592 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.4 HD11 HD13 ' G' ' 34' ' ' LEU . 2.2 pp -143.95 143.96 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.6 143.68 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' G' ' 32' ' ' ILE . 42.2 p90 -147.08 145.21 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.7 p90 -145.89 145.67 30.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.319 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.09 157.83 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -144.78 127.11 15.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -107.13 140.25 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.47 -19.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.32 -77.44 0.19 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.9 p -56.83 115.17 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.48 152.36 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.09 -61.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -174.43 114.29 0.5 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.416 ' O ' HG12 ' F' ' 36' ' ' VAL . . . -95.75 142.19 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.431 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.1 pt -145.24 145.07 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.345 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.751 HG21 ' CE2' ' G' ' 19' ' ' PHE . 4.6 mp -144.26 141.95 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.32 145.13 13.48 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.4 HD13 HD11 ' G' ' 17' ' ' LEU . 1.3 pp -147.51 146.82 29.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.72 137.13 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 m -109.94 147.72 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -137.99 133.16 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.21 144.03 31.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.199 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t -147.73 144.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -144.84 144.0 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.238 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -145.79 144.31 30.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.295 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.41 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -144.92 130.52 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -121.2 132.1 54.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' G' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.67 145.28 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.53 146.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.6 143.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 145.36 14.18 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.39 143.75 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 32.2 ttm -144.26 134.53 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.52 141.68 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.74 91.28 0.25 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.54 126.51 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.65 143.63 31.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.132 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -146.86 143.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -145.72 144.65 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -145.27 144.35 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 153.22 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -139.4 145.36 38.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 p30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -146.95 146.7 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.451 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -145.63 143.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.273 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.8 15.0 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.02 143.4 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 mtt -145.11 137.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.04 136.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 49.39 79.02 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -68.4 -142.67 0.1 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.81 157.65 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.578 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 128.16 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.649 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.14 144.26 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.223 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.84 143.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 15.6 p90 -146.07 144.85 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.334 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -145.33 144.54 30.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.298 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.28 157.38 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.341 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -134.95 144.01 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.43 136.72 33.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 68.1 t -149.11 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.18 -105.0 0.85 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -170.33 82.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -76.3 -162.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -142.07 -8.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 159.68 104.67 0.2 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.66 144.0 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.544 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.9 tt -146.16 145.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.733 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.9 mp -144.3 142.18 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.251 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.37 144.88 13.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.632 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -147.85 147.5 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.595 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.19 139.14 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.495 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.37 138.28 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -119.41 141.74 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.75 144.0 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.216 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -145.0 142.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' C' ' 32' ' ' ILE . 1.2 t80 -142.19 140.07 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' C' ' 21' ' ' ALA . 6.2 t80 -144.8 143.44 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.264 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.563 ' N ' ' CD1' ' C' ' 20' ' ' PHE . . . -138.27 153.2 49.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -139.22 128.47 24.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -93.77 121.75 35.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.01 -30.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.93 78.79 1.32 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.9 m -161.08 -109.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -79.77 -162.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -155.79 137.77 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.95 60.77 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.11 140.81 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.404 HD13 HG21 ' C' ' 31' ' ' ILE . 6.9 pt -145.48 144.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.632 HD11 HD11 ' B' ' 34' ' ' LEU . 23.5 pt -146.0 143.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.432 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.66 14.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.764 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.45 145.54 30.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.36 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -145.37 151.22 37.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -90.89 117.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -107.72 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.25 144.41 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.64 144.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 4.7 p90 -145.81 144.35 30.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -145.92 145.19 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.401 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.88 146.64 46.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.547 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -135.01 127.19 29.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -105.87 140.19 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.53 -31.52 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.83 38.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 p -177.84 139.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -176.77 110.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -58.53 -23.95 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . 159.08 152.87 6.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' C' ' 37' ' ' GLY . . . -142.74 145.9 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.15 143.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.298 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.9 mp -143.14 141.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.586 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.15 145.17 13.61 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.693 HD12 HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.85 145.19 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 110.341 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -136.66 122.68 20.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.493 HG12 ' N ' ' D' ' 37' ' ' GLY . 99.4 t -100.38 158.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.493 ' N ' HG12 ' D' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -130.44 141.37 50.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.516 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -143.89 144.38 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.206 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -145.73 142.86 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 110.347 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -144.82 143.52 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.327 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' E' ' 21' ' ' ALA . 6.9 t80 -144.89 143.54 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.219 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CE1' ' E' ' 20' ' ' PHE . . . -130.65 146.63 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.57 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -142.46 131.84 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.71 136.94 55.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -77.81 -17.33 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.57 -173.61 25.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 128.08 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.75 158.13 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -71.49 -58.19 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . -162.53 72.9 0.2 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 140.15 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -146.13 145.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.855 ' H ' HD13 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.44 145.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.511 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.887 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.69 145.74 14.93 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.887 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.81 145.73 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 110.441 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -144.27 144.78 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.47 117.82 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.599 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -105.8 119.28 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.639 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.01 144.33 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.193 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.19 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.491 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 17.2 p90 -146.09 144.92 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' F' ' 20' ' ' PHE . 29.1 p90 -145.64 145.05 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.413 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.19 42.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -136.89 126.88 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -93.57 146.26 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -143.89 37.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.13 151.15 25.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 71.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -128.33 174.78 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -144.98 -147.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -79.36 149.86 32.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.22 37.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.601 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.99 144.96 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.678 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.4 mp -143.72 141.5 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 145.95 15.19 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.03 144.61 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 110.321 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.477 ' CB ' HG22 ' G' ' 31' ' ' ILE . 7.5 ptp -144.75 128.47 17.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -98.51 148.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.486 ' CD ' ' N ' ' G' ' 15' ' ' GLN . 1.9 mp0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -105.98 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.92 144.15 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.213 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.66 143.99 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -144.83 143.59 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.299 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' G' ' 21' ' ' ALA . 10.0 t80 -145.09 143.56 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.213 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' G' ' 20' ' ' PHE . . . -125.38 142.66 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.566 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' H' ' 16' ' ' LYS . 25.2 tt0 -130.14 127.25 39.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' OE1' ' H' ' 15' ' ' GLN . 9.7 m120 -120.79 126.14 49.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.98 -54.1 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 66.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -161.16 167.52 26.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 m120 56.01 171.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -152.54 154.06 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . 75.77 94.44 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.44 138.23 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' F' ' 35' ' ' MET . 5.9 pt -145.03 144.77 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.349 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.0 mp -143.55 141.13 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -146.59 144.75 13.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.681 ' H ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -145.88 144.9 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 0.0 110.427 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.5 tmt? -144.36 126.5 15.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -122.14 117.83 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.404 ' OE1' ' ND2' ' G' ' 23' ' ' ASN . 29.1 mt-30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' G' ' 22' ' ' GLU . 2.8 tptp -138.03 126.04 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.4 31.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.175 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -146.43 144.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 30.5 p90 -144.64 143.09 30.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.336 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -145.34 143.94 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.247 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.33 140.04 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -141.22 133.3 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' H' ' 24' ' ' VAL . 41.2 t-20 -106.75 145.62 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' H' ' 23' ' ' ASN . 11.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.03 131.87 41.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 17.6 pt -146.29 145.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' G' ' 34' ' ' LEU . 9.9 pt -145.96 143.51 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.71 145.82 15.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.706 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.4 OUTLIER -145.23 143.72 30.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.347 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 12.4 tpt -144.77 124.77 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.558 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 m -113.33 152.4 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.37 33.53 68.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 3.5 mp0 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -120.54 115.46 23.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.16 144.25 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.262 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -146.81 143.83 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.397 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -145.11 144.27 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -145.14 143.68 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.255 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.19 158.21 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -129.87 130.77 45.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 58.0 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -95.83 145.56 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 110.553 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 tt -146.88 146.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.414 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.88 143.95 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.27 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.85 145.7 14.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.3 143.92 30.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 tpt -143.83 136.11 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.7 m -131.28 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.06 -9.66 70.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.4 129.37 10.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -85.97 141.07 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.588 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -138.43 122.48 17.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 144.38 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.216 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.22 144.4 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.6 OUTLIER -146.78 145.39 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.424 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 1.2 p90 -145.39 144.79 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.379 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 128.73 44.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -119.21 128.77 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' B' ' 23' ' ' ASN . 1.5 m-20 -95.92 138.15 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.47 -31.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.55 -91.62 2.04 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -152.84 175.77 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -152.06 176.2 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -153.16 -27.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.09 120.17 0.83 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.08 144.2 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.482 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.2 tt -146.2 145.5 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.8 mp -143.98 142.13 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.198 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.83 12.05 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' C' ' 19' ' ' PHE . 0.7 OUTLIER -147.69 146.84 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.504 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.66 144.82 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 30' ' ' ALA . 4.2 p -142.45 140.53 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 18.2 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -105.5 132.99 50.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.904 HD23 ' H ' ' C' ' 17' ' ' LEU . 1.5 pt? -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.226 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -146.08 143.49 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.392 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.11 143.52 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.293 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.545 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 2.6 p90 -145.85 144.96 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.24 141.49 52.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.05 134.18 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -105.54 128.44 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.27 -77.21 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.52 -87.83 0.52 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -169.48 122.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -80.94 -179.79 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -158.63 44.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 90.51 1.26 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.02 145.22 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -145.07 144.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.4 mp -143.63 141.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.31 144.55 12.93 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.41 145.19 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptp -144.94 140.3 28.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -102.87 143.6 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' E' ' 23' ' ' ASN . 32.7 mt-30 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.473 ' HB3' ' HZ3' ' D' ' 16' ' ' LYS . 4.8 ttpm? -135.37 136.22 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.472 ' H ' HD12 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -143.86 143.45 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.12 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -147.72 144.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 25.0 p90 -145.97 145.04 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.2 p90 -145.5 144.8 30.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.279 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.56 158.53 31.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -141.11 126.92 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -104.63 141.35 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.411 HG22 ' O ' ' D' ' 24' ' ' VAL . 14.7 p -139.98 -13.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.88 -93.28 0.67 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.8 m -91.58 179.99 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' D' ' 29' ' ' GLY . 55.8 m-20 -136.25 -46.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttm 54.05 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' D' ' 27' ' ' ASN . . . 177.21 102.17 0.15 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.86 143.74 27.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.416 ' C ' HD12 ' D' ' 32' ' ' ILE . 8.2 tt -145.83 145.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.7 mp -143.58 141.25 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.61 14.53 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.934 ' O ' HD12 ' D' ' 34' ' ' LEU . 0.9 OUTLIER -146.23 145.19 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' D' ' 35' ' ' MET . 12.9 tmm? -144.2 132.78 22.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.42 156.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' F' ' 22' ' ' GLU . 52.5 tttm -132.91 143.07 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' F' ' 21' ' ' ALA . 5.2 tt -143.74 144.14 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.188 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.63 143.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.365 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.36 144.62 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.316 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 2.4 p90 -145.53 144.22 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.342 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.56 142.23 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -129.37 126.7 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' D' ' 15' ' ' GLN . 1.7 m-20 -100.0 123.2 43.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.607 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.421 HG22 ' H ' ' E' ' 24' ' ' VAL . 6.2 m -95.99 137.22 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.76 -115.11 3.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -95.73 177.85 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' E' ' 28' ' ' LYS . 15.8 t-20 -163.41 174.22 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 32.3 mttp -132.13 -132.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . -91.16 123.09 6.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 145.28 34.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.444 ' C ' HD12 ' E' ' 32' ' ' ILE . 8.4 tt -145.43 144.38 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.3 mp -144.38 142.16 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 144.73 13.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.759 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -145.17 144.03 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -144.49 136.87 26.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -111.0 123.25 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.443 ' HG2' HD22 ' E' ' 27' ' ' ASN . 18.6 mt-30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -106.14 130.22 54.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.96 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.12 144.42 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' G' ' 34' ' ' LEU . 9.4 p90 -145.72 144.52 30.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.334 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.06 144.3 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' E' ' 17' ' ' LEU . . . -117.48 158.89 23.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' E' ' 16' ' ' LYS . 13.3 tt0 -135.5 144.75 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -125.91 145.88 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.8 2.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.14 -97.85 0.13 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -145.54 174.87 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.86 158.83 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -75.85 -50.63 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 176.31 133.72 1.83 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.0 141.92 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.441 ' C ' HD12 ' F' ' 32' ' ' ILE . 9.0 tt -145.87 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' E' ' 34' ' ' LEU . 4.5 mp -143.23 141.07 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.066 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.43 144.62 12.98 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.55 144.31 30.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.638 0.256 . . . . 0.0 110.346 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.6 ptm -145.26 134.6 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 110.519 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.52 158.06 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -137.97 131.89 31.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.457 HD23 ' N ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -144.18 144.38 31.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.191 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -146.25 143.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.98 144.31 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.329 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' G' ' 20' ' ' PHE . 23.1 p90 -145.92 145.24 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.397 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 138.29 48.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.25 126.63 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.34 126.25 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -149.53 33.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.24 -88.86 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -172.64 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.577 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.52 -178.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -168.86 117.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 60.1 4.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 141.96 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.99 145.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.694 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.8 mp -143.3 141.08 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.705 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.05 145.16 13.61 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.731 ' N ' HD12 ' G' ' 34' ' ' LEU . 2.1 mp -145.32 144.46 30.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptm -143.67 125.14 14.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -144.26 139.82 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -138.05 120.8 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.2 144.34 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.207 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.82 144.22 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 28.4 p90 -144.66 143.28 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -145.29 144.03 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.81 146.5 50.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -116.8 128.78 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -108.41 122.4 46.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 120.91 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.54 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' H' ' 31' ' ' ILE . 8.3 mt -146.15 145.33 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.383 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.75 143.28 21.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.24 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.79 145.77 14.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.892 HD23 ' H ' ' H' ' 34' ' ' LEU . 1.5 pt? -146.15 144.75 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.261 . . . . 0.0 110.446 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 27.9 mtt -144.64 131.4 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.28 150.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.55 34.88 91.14 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' B' ' 22' ' ' GLU . 85.5 mttt -133.95 126.93 31.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 144.61 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.258 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.21 143.99 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.724 0.297 . . . . 0.0 110.432 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -145.69 145.09 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -145.38 143.93 30.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.262 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.29 133.46 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -117.52 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 137.0 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -146.18 145.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.396 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.39 142.85 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.213 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.97 15.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.38 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -143.5 131.06 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.545 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.38 142.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.07 77.69 0.83 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -75.24 -153.37 3.81 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.97 151.77 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -138.21 123.46 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.12 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.192 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.39 144.27 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 24.8 p90 -147.93 146.5 29.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.3 p90 -145.75 145.68 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 154.72 35.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' LYS . 29.3 tt0 -145.51 144.36 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.528 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.666 HD22 ' N ' ' C' ' 15' ' ' GLN . 8.0 p-10 -124.88 133.44 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 24' ' ' VAL . 98.2 t -88.75 -15.82 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 26' ' ' SER . . . 166.79 44.21 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 25' ' ' GLY . 40.7 m -169.96 122.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -155.95 55.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -47.27 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -158.29 96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 142.14 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' B' ' 32' ' ' ILE . 6.1 tt -146.12 145.61 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.578 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.26 141.23 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.198 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.6 144.5 12.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.75 148.02 30.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ptp -129.13 136.92 50.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.26 135.12 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.666 ' N ' HD22 ' B' ' 23' ' ' ASN . 83.7 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -109.16 143.14 38.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.99 144.41 31.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.22 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.91 143.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 5.6 t80 -144.66 142.51 30.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.174 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 3.5 p90 -146.65 145.93 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.97 158.27 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' D' ' 16' ' ' LYS . 13.4 mm-40 -139.68 127.45 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' C' ' 23' ' ' ASN . 1.9 m120 -122.13 130.31 53.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 t -67.66 -15.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.19 1.38 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -162.94 90.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.523 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -77.78 -178.15 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -172.28 34.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . 84.47 95.37 0.68 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' D' ' 36' ' ' VAL . . . -142.58 145.32 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.476 ' C ' HD12 ' C' ' 32' ' ' ILE . 25.7 mt -145.27 144.57 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.343 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.617 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.7 mp -144.2 142.01 24.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.181 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 144.68 13.0 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -146.14 145.02 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.668 0.271 . . . . 0.0 110.422 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptp -145.37 136.54 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.492 HG12 ' N ' ' C' ' 37' ' ' GLY . 54.8 t -107.32 158.07 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.492 ' N ' HG12 ' C' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' D' ' 15' ' ' GLN . 11.6 mp0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' C' ' 22' ' ' GLU . 74.7 mttt -136.55 123.57 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.652 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.58 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.228 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HD1' ' C' ' 19' ' ' PHE . 97.9 t -147.12 143.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 1.3 p90 -146.5 145.63 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.31 145.95 30.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.93 158.37 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.483 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -142.04 127.0 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -120.22 126.86 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.24 -30.01 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.54 -37.79 0.18 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -82.38 151.04 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -173.28 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -77.88 -50.38 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 121.78 0.82 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.72 143.29 51.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' D' ' 32' ' ' ILE . 7.3 pt -145.72 145.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.421 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.5 mp -143.94 141.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.158 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.5 144.78 13.17 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.21 145.16 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 110.449 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.4 ptm -144.55 135.89 25.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' C' ' 30' ' ' ALA . 3.9 t -110.43 117.69 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' E' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -137.92 142.91 40.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' F' ' 32' ' ' ILE . 5.6 tt -144.18 144.61 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -145.97 142.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.251 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 145.33 30.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.539 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' E' ' 20' ' ' PHE . 13.1 p90 -145.35 144.17 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.246 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 153.03 39.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.42 132.46 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.15 121.9 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.23 -73.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.63 -98.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.0 m -161.36 148.31 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -140.86 159.61 41.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -165.9 135.47 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.87 61.91 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.72 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.78 145.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.371 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.591 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.6 OUTLIER -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.899 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.64 146.77 16.85 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.899 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.42 145.61 30.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.345 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 6.2 ptp -144.07 149.44 36.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.489 HG12 ' N ' ' E' ' 37' ' ' GLY . 61.5 t -114.55 158.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -116.49 128.96 55.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.441 ' H ' HD12 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -144.01 143.83 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.166 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.9 144.19 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 15.1 p90 -145.33 143.92 30.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.299 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' F' ' 20' ' ' PHE . 8.4 p90 -146.02 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.377 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 158.45 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.96 126.8 17.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.59 132.24 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -84.76 -36.56 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 58.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' F' ' 27' ' ' ASN . 2.6 t 174.68 173.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.529 ' ND2' ' OE1' ' E' ' 15' ' ' GLN . 55.9 m-80 56.65 155.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -165.75 84.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 171.57 85.12 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.35 145.6 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.526 HG22 ' CB ' ' G' ' 35' ' ' MET . 12.7 pt -145.25 144.42 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.699 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.8 mp -143.96 141.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.204 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.936 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -146.98 144.81 13.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.936 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -145.86 145.27 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.374 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -136.02 123.14 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.463 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 26.6 t -80.56 153.82 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -106.71 142.52 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.86 143.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.141 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.77 144.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.63 144.91 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.429 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' G' ' 20' ' ' PHE . 17.6 p90 -145.56 144.83 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.268 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.94 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.576 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -144.47 126.39 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -125.76 136.96 53.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.8 -11.52 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -179.68 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . 0.433 ' O ' ' O ' ' G' ' 25' ' ' GLY . 10.3 t 48.92 100.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.25 -46.77 72.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -47.42 157.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -85.2 115.54 4.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 145.09 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.94 144.89 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.368 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.495 HD11 HD11 ' F' ' 34' ' ' LEU . 2.1 pp -146.33 144.03 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.417 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.42 146.54 16.42 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.759 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.4 mp -144.68 143.26 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.526 ' CB ' HG22 ' F' ' 31' ' ' ILE . 1.4 ptp -144.97 133.4 21.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 23.8 m -122.0 158.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -138.07 119.75 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.892 HD23 ' N ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -144.51 144.13 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.186 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' G' ' 20' ' ' PHE . 11.5 t -147.66 145.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.614 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.95 142.68 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.199 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -145.16 143.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.29 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.21 153.63 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.68 137.35 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -125.56 127.62 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.457 ' O ' HG13 ' H' ' 24' ' ' VAL . 10.9 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.54 144.53 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 110.525 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' G' ' 35' ' ' MET . 20.1 tt -146.74 145.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.879 ' H ' HD13 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.74 144.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.78 145.51 14.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.38 145.11 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.7 mtt -144.27 125.44 14.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' H' ' 37' ' ' GLY . 12.2 t -93.64 139.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' H' ' 36' ' ' VAL . . . 59.33 125.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 22' ' ' GLU . 77.4 tttt -117.21 116.81 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 144.54 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.194 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.74 144.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.747 0.308 . . . . 0.0 110.502 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 29.8 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.299 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -145.21 143.86 30.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.343 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 17' ' ' LEU . . . -131.12 158.18 41.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -124.71 129.51 50.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 10.8 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 140.56 30.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 35' ' ' MET . 12.5 tt -146.37 145.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.342 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 pt -146.01 143.86 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.318 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.07 145.91 15.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HB2' HG22 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.96 144.51 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.651 0.262 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 34' ' ' LEU . 4.2 mpp? -144.05 121.96 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.69 134.53 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . 72.44 38.59 57.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -44.81 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.3 p -98.1 128.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.532 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.426 ' CD ' ' N ' ' B' ' 15' ' ' GLN . 3.2 mp0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -117.49 122.08 42.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.785 ' C ' HD23 ' B' ' 17' ' ' LEU . 1.2 tt -143.79 143.87 31.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.209 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -146.32 143.51 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.727 0.299 . . . . 0.0 110.329 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' CE2' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 144.88 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.517 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -144.29 142.99 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.13 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 140.7 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' LYS . 54.5 mm-40 -133.28 131.01 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -125.57 133.62 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -82.17 -28.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.73 121.32 0.56 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -163.14 164.36 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.98 68.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -144.11 171.39 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -69.36 112.56 4.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 135.57 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -145.93 144.83 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -146.27 143.38 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.312 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.644 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -147.9 147.46 18.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.764 ' N ' HD12 ' B' ' 34' ' ' LEU . 1.1 mp -144.9 143.31 30.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' ILE . 14.5 ptm -146.24 132.18 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.452 HG13 HD13 ' B' ' 17' ' ' LEU . 2.4 m -112.66 158.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 22' ' ' GLU . 45.2 mttp -122.56 116.35 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.58 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.34 144.39 31.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 m -146.92 144.33 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.511 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' B' ' 19' ' ' PHE . 18.4 p90 -145.07 143.89 30.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.293 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 3.2 p90 -145.52 144.58 30.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.323 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.34 151.27 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -145.26 130.98 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' C' ' 23' ' ' ASN . 15.2 p-10 -123.62 123.27 40.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.48 -36.4 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.31 41.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.0 p -94.41 -94.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -154.75 -172.65 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.75 -140.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.74 69.86 1.33 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 145.01 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.55 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -145.85 145.54 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.6 mp -143.7 141.45 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.12 144.41 12.81 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.529 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -145.76 144.58 30.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.629 0.252 . . . . 0.0 110.464 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.46 126.12 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.492 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.472 HG22 ' N ' ' C' ' 37' ' ' GLY . 14.6 p -106.82 157.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -131.47 139.9 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.92 144.4 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.205 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CZ ' ' D' ' 20' ' ' PHE . 77.2 t -146.02 143.01 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.707 0.289 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -145.89 144.72 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.429 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' D' ' 19' ' ' PHE . 31.4 m-85 -144.58 143.56 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.219 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.14 158.58 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 16' ' ' LYS . 26.6 mt-10 -141.79 129.69 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -123.88 129.17 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.426 HG13 ' N ' ' D' ' 25' ' ' GLY . 7.6 p -132.62 -38.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.426 ' N ' HG13 ' D' ' 24' ' ' VAL . . . -87.58 -106.03 0.9 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.4 m -130.55 -176.63 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.529 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' D' ' 29' ' ' GLY . 5.9 m120 -156.26 -64.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm 67.3 -35.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' D' ' 27' ' ' ASN . . . -162.78 101.71 0.19 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.69 132.84 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.599 ' C ' HD12 ' D' ' 32' ' ' ILE . 5.4 pt -145.39 144.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.599 HD12 ' C ' ' D' ' 31' ' ' ILE . 3.8 mp -144.02 141.7 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.909 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.28 144.58 12.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.909 HD23 ' C ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -146.54 146.44 30.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.463 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -135.85 140.95 44.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.25 158.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.95 132.31 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.637 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.219 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.64 143.24 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.347 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 19.7 p90 -146.7 145.65 30.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -145.99 145.54 30.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.373 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.13 157.91 22.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -145.2 141.92 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -96.23 124.66 40.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.487 ' O ' HG12 ' E' ' 24' ' ' VAL . 91.0 t -87.42 -10.54 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.31 -90.08 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -157.58 54.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 110.579 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -75.64 171.74 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -168.91 89.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . 153.2 87.71 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.4 34.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.38 144.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.2 mp -144.44 142.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.238 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.69 144.85 13.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 144.54 30.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.642 0.258 . . . . 0.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.2 OUTLIER -138.94 122.03 16.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -120.46 150.96 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.719 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -129.67 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.99 144.3 31.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -145.26 142.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.718 0.294 . . . . 0.0 110.289 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.607 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -145.06 143.78 30.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.286 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.2 t80 -145.03 143.76 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -131.11 140.17 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.545 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.0 129.74 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -125.51 144.6 50.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.79 -73.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.34 -92.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -153.82 139.08 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.73 149.42 26.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -173.48 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 27.16 68.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.36 140.76 36.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.613 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 tt -145.96 145.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.305 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' F' ' 19' ' ' PHE . 2.0 pp -146.13 143.85 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.408 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.33 145.36 14.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.44 144.96 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptp -145.53 148.07 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.474 HG13 ' O ' ' F' ' 36' ' ' VAL . 14.5 p -110.43 128.74 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.482 ' H ' ' HB3' ' H' ' 22' ' ' GLU . 49.4 mttp -130.28 139.54 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.871 ' N ' HD12 ' G' ' 17' ' ' LEU . 0.0 OUTLIER -143.24 143.35 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.078 179.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.04 144.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' G' ' 32' ' ' ILE . 25.5 p90 -146.22 144.83 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.71 145.29 30.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.9 148.65 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -125.99 139.63 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -93.22 128.57 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.9 -30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.5 -85.77 0.92 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 14.8 t -168.67 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 5.3 m-20 48.05 -163.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -162.36 -26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -164.52 129.78 2.05 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.25 143.55 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' G' ' 32' ' ' ILE . 6.4 tt -146.45 146.1 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' G' ' 19' ' ' PHE . 4.3 mp -144.36 142.59 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.42 144.9 13.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.809 HD23 ' C ' ' G' ' 34' ' ' LEU . 0.7 OUTLIER -145.32 143.53 30.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.242 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.9 ptp -146.04 136.49 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.405 ' H ' HG22 ' G' ' 36' ' ' VAL . 22.0 m -94.36 149.64 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.509 ' NE2' ' OD1' ' G' ' 27' ' ' ASN . 7.7 tp-100 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -138.16 136.22 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.914 HD23 ' H ' ' H' ' 17' ' ' LEU . 1.4 pt? -144.02 143.95 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.201 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.51 143.61 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.32 . . . . 0.0 110.342 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -145.36 144.14 30.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.333 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -145.04 143.92 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.237 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.51 150.23 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.482 ' HB3' ' H ' ' G' ' 16' ' ' LYS . 28.5 tt0 -117.17 130.18 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.91 146.8 47.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.92 143.55 27.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.413 HG21 HD13 ' H' ' 31' ' ' ILE . 12.6 pt -146.33 145.74 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.59 143.29 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.52 145.18 13.81 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.605 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.34 143.87 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -142.48 137.38 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 110.521 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.6 t -110.54 140.38 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 77.21 26.01 62.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -137.66 120.3 16.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 143.7 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.134 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.53 143.65 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.28 144.19 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -145.52 144.44 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.342 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 147.34 33.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -145.24 150.84 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.622 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 141.66 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.548 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' ILE . 16.6 tt -146.23 146.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HB3' ' B' ' 34' ' ' LEU . 4.4 mp -144.18 142.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.165 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.47 144.78 13.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.02 144.97 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.694 0.283 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -142.78 145.24 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.583 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.29 119.74 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.85 -67.2 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.22 -139.99 1.06 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.54 136.48 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.586 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -116.62 132.13 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.917 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.4 pt? -144.05 143.92 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.169 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.62 144.74 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -146.25 145.05 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 3.3 p90 -145.77 145.23 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.393 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.56 142.96 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -130.21 126.51 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' C' ' 15' ' ' GLN . 58.3 m-20 -95.51 126.73 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.31 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.06 -167.97 27.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.7 p -47.53 125.14 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -145.81 159.76 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.15 -168.66 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.19 118.92 5.64 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.27 144.96 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.588 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.407 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -145.86 144.87 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.37 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.2 mp -143.77 141.75 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.7 145.31 14.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -145.66 144.2 30.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.0 ptm -144.83 129.35 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 37' ' ' GLY . 12.6 p -90.96 157.9 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.484 ' N ' HG22 ' B' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.585 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -105.93 117.97 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.91 HD23 ' H ' ' C' ' 17' ' ' LEU . 1.5 pt? -143.75 143.51 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.161 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -146.95 144.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.04 143.41 30.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.218 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 2.2 p90 -146.49 145.74 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.429 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.15 150.7 42.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -145.36 128.83 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASN . . . . . 0.422 ' ND2' ' OE1' ' D' ' 15' ' ' GLN . 1.9 m120 -125.85 129.61 49.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.435 ' H ' HG22 ' C' ' 24' ' ' VAL . 5.6 m -86.39 -33.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' C' ' 26' ' ' SER . . . 155.73 96.83 0.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 25' ' ' GLY . 6.4 m -166.97 -144.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -57.87 154.97 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' C' ' 30' ' ' ALA . 53.5 mtpt -112.47 -40.44 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . -53.24 85.38 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -142.27 145.34 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.44 ' C ' HD12 ' C' ' 32' ' ' ILE . 5.1 tt -145.82 145.61 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.5 mp -143.93 141.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.76 144.17 12.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.952 ' H ' HD12 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -145.24 143.71 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.5 ptm -145.71 142.04 28.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -128.29 146.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.422 ' OE1' ' ND2' ' C' ' 23' ' ' ASN . 15.6 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -130.21 129.98 44.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.623 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.76 143.54 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -147.77 144.68 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 13.6 p90 -146.09 144.97 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.435 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.2 144.19 51.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -135.26 140.9 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' D' ' 27' ' ' ASN . 3.1 m-20 -112.89 146.97 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.35 -14.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.555 ' N ' HE22 ' C' ' 15' ' ' GLN . . . -105.61 -57.66 0.66 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -161.97 151.89 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.576 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.461 ' HA ' HD21 ' D' ' 23' ' ' ASN . 4.9 p-10 -87.66 142.24 27.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -147.19 172.95 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.41 117.49 7.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.7 144.68 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.452 ' C ' HD12 ' D' ' 32' ' ' ILE . 2.5 tt -146.0 145.54 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.437 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.8 mp -143.01 140.79 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.98 145.17 13.65 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.1 OUTLIER -145.95 144.77 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 128.63 17.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.442 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.19 142.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' F' ' 22' ' ' GLU . 19.1 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' F' ' 22' ' ' GLU . 30.7 mttm -135.12 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.93 144.03 31.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.08 144.28 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.45 144.65 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 33.4 p90 -145.16 143.91 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.234 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.72 152.61 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -144.94 127.27 15.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.7 136.07 53.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.19 -35.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.55 -89.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 31.5 t 54.79 -118.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.623 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.435 ' N ' ' OG ' ' E' ' 26' ' ' SER . 72.8 m-80 -151.47 -165.85 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -81.98 -149.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.35 56.21 24.79 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.01 124.71 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -146.28 146.12 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.46 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.546 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.7 OUTLIER -145.92 143.39 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.4 145.32 14.14 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.885 HD12 ' N ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -144.64 143.13 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 13.0 ptm -145.73 127.68 15.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 12.7 p -100.33 145.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -124.54 117.11 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.537 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.99 143.82 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.156 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -147.49 144.64 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 6.9 p90 -145.45 144.67 30.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.381 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.1 t80 -144.48 143.35 30.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.205 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -121.38 158.77 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.548 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' E' ' 16' ' ' LYS . 27.5 tt0 -135.15 126.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.95 132.95 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -84.25 -13.13 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.53 -159.01 9.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -49.15 164.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.7 HD21 ' N ' ' G' ' 15' ' ' GLN . 0.8 OUTLIER -100.52 154.21 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -104.62 -9.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.19 67.45 0.13 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.9 135.76 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.555 ' C ' HD12 ' F' ' 32' ' ' ILE . 5.8 tt -145.52 145.31 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.314 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.555 HD12 ' C ' ' F' ' 31' ' ' ILE . 4.8 mp -143.31 140.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.77 145.55 14.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.546 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.82 146.04 30.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.682 0.277 . . . . 0.0 110.444 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptp -145.78 126.91 14.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.568 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.18 143.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.7 ' N ' HD21 ' F' ' 27' ' ' ASN . 24.5 mm-40 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.474 ' CB ' ' NZ ' ' G' ' 16' ' ' LYS . 9.1 mtmp? -136.66 127.17 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.886 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -143.97 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.7 142.87 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.305 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -146.12 144.38 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.396 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.97 145.28 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.371 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 158.15 38.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -140.93 127.96 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 23' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' G' ' 24' ' ' VAL . 60.0 t-20 -103.49 144.42 31.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.49 HG13 ' N ' ' G' ' 25' ' ' GLY . 14.6 p -159.04 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.49 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -81.9 -143.98 4.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -79.69 -178.41 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 64.7 t-20 -158.87 142.2 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' G' ' 27' ' ' ASN . 8.5 ptmm? -157.72 52.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.477 ' O ' ' CA ' ' H' ' 37' ' ' GLY . . . 92.78 110.09 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.77 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -145.97 145.38 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.6 mp -143.44 141.39 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.087 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.583 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.12 145.26 13.8 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.768 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.7 OUTLIER -144.61 143.38 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.436 ' O ' ' O ' ' H' ' 31' ' ' ILE . 12.4 ptm -146.21 135.3 22.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' G' ' 17' ' ' LEU . 2.7 m -118.8 129.69 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -131.43 129.56 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.18 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.185 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -147.14 144.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 25.2 p90 -144.44 143.29 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.304 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -145.35 143.9 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.273 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.37 152.79 42.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 110.552 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.73 134.09 55.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -126.0 146.37 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.82 135.67 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' G' ' 35' ' ' MET . 14.3 mt -146.34 145.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.94 143.46 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.257 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.46 145.65 14.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.883 HD23 ' H ' ' H' ' 34' ' ' LEU . 1.4 pt? -146.34 144.87 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.619 0.247 . . . . 0.0 110.452 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtp -142.56 131.15 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.64 157.76 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' G' ' 29' ' ' GLY . . . 66.14 2.61 14.3 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -138.09 126.2 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 143.92 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.172 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -146.85 143.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.381 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -145.61 144.55 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.315 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -145.54 144.5 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.7 156.17 46.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.1 134.51 26.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.76 132.87 42.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.47 146.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.416 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.49 142.99 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.157 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.87 15.18 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.08 143.4 30.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.34 130.31 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 0.0 110.537 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.59 ' N ' ' SD ' ' A' ' 35' ' ' MET . 74.4 t -105.19 144.72 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 60.1 49.39 79.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -58.06 143.38 43.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -86.37 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.618 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' C' ' 22' ' ' GLU . 60.9 mttm -137.9 119.23 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.629 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.46 144.47 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.172 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.36 144.49 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.6 p90 -146.08 144.79 30.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.307 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.5 p90 -145.65 145.11 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.3 151.92 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -141.93 127.17 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' B' ' 26' ' ' SER . 36.7 t30 -125.68 120.58 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.09 62.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.18 -167.23 34.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.551 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 60.6 p -54.74 168.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.349 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' B' ' 23' ' ' ASN . 31.3 t30 -146.67 126.7 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -74.33 -30.92 62.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . 153.45 129.53 1.38 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.89 139.9 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -146.22 145.98 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.444 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.608 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.7 mp -143.12 140.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.17 145.26 13.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 148.23 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.579 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ptp -128.22 129.7 46.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.95 140.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.458 HE22 ' H ' ' D' ' 25' ' ' GLY . 75.6 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -138.09 116.24 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.89 144.41 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -145.71 143.01 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -144.82 142.87 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.258 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 1.6 p90 -146.25 145.3 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.335 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 139.64 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.502 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 16' ' ' LYS . 47.1 mt-10 -136.26 128.58 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -110.55 139.71 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.414 ' H ' HG22 ' C' ' 24' ' ' VAL . 5.9 m -79.17 9.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.02 -107.63 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 27' ' ' ASN . 49.3 m -140.87 -2.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' C' ' 26' ' ' SER . 2.6 m120 47.65 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -172.93 97.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.62 59.95 1.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.07 134.84 38.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' C' ' 32' ' ' ILE . 37.7 mt -145.31 144.9 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' D' ' 34' ' ' LEU . 4.1 mp -143.98 141.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.875 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.17 144.03 12.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.875 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.77 145.83 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.81 139.3 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.56 150.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -108.51 125.52 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.618 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.9 143.49 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.14 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.449 ' HB ' ' CE2' ' C' ' 20' ' ' PHE . 89.4 t -149.44 145.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 27.7 p90 -148.26 148.13 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 20.9 p90 -145.41 144.95 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.293 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.61 155.75 33.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -145.22 133.8 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -100.56 127.67 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.04 -31.79 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.458 ' H ' HE22 ' C' ' 15' ' ' GLN . . . 165.55 35.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -158.88 -124.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.408 HD22 ' C ' ' D' ' 27' ' ' ASN . 0.2 OUTLIER 62.16 116.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -94.42 -46.92 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -152.69 143.67 10.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.62 145.67 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' D' ' 32' ' ' ILE . 4.0 tt -146.14 145.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.9 mp -143.84 141.61 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.086 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.9 145.38 14.12 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.547 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -145.73 144.47 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 110.358 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.454 ' CB ' HG22 ' E' ' 31' ' ' ILE . 0.7 OUTLIER -142.31 131.55 23.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 158.14 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' F' ' 22' ' ' GLU . 91.5 mttt -108.69 143.81 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 144.28 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.211 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -146.54 143.78 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' CE2' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.47 144.27 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.287 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 6.6 p90 -145.79 144.86 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.317 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.43 139.98 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -122.35 138.4 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -103.47 129.07 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 t -137.9 -44.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.09 -97.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.7 p -175.71 -66.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.339 . . . . 0.0 110.589 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.31 177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -161.23 112.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.07 4.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 141.29 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' D' ' 35' ' ' MET . 8.6 pt -146.46 146.07 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.384 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.573 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.1 pt -146.89 144.36 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.387 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.609 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.71 146.59 16.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.875 HD23 ' N ' ' E' ' 34' ' ' LEU . 0.3 OUTLIER -146.72 145.57 30.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 110.516 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.8 ptm -145.42 126.33 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.412 HG12 ' N ' ' E' ' 37' ' ' GLY . 82.6 t -114.19 153.56 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' F' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.494 ' O ' ' ND2' ' G' ' 23' ' ' ASN . 40.7 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -105.97 127.3 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.633 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.03 143.98 31.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.135 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -146.96 144.15 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.555 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 12.4 p90 -145.52 144.33 30.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.93 144.06 30.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.5 158.79 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' E' ' 16' ' ' LYS . 1.1 tm-20 -128.32 126.58 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' G' ' 15' ' ' GLN . 88.2 m-20 -116.01 146.28 42.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.414 HG13 ' N ' ' F' ' 25' ' ' GLY . 11.8 p -157.01 -35.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.414 ' N ' HG13 ' F' ' 24' ' ' VAL . . . -107.09 -109.3 3.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t 171.6 145.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -159.72 -57.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' E' ' 37' ' ' GLY . 10.9 tptp -160.89 -139.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' F' ' 28' ' ' LYS . . . -107.13 173.03 18.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 136.15 29.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 tt -146.25 146.31 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.755 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.3 mp -143.06 140.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.013 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.848 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -147.04 144.96 13.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.848 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -146.21 144.97 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.65 0.262 . . . . 0.0 110.413 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ptm -146.19 125.86 13.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' F' ' 37' ' ' GLY . 16.7 m -98.6 156.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' H' ' 22' ' ' GLU . 42.3 mm-40 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -106.56 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' G' ' 17' ' ' LEU . 0.4 OUTLIER -143.68 143.93 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.171 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -146.69 143.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.14 144.49 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.1 p90 -145.89 145.21 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.327 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.42 158.25 34.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.74 128.06 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 23' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' F' ' 15' ' ' GLN . 14.0 m-80 -125.28 130.35 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.28 -19.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.07 14.44 52.07 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m 60.53 -174.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -176.58 167.8 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -79.19 -65.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.4 93.18 0.13 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.42 145.16 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.334 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -145.68 145.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.727 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.6 141.29 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.087 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.656 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.03 145.45 14.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.734 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.6 mp -144.78 143.41 30.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.496 ' O ' ' O ' ' H' ' 31' ' ' ILE . 11.3 ptm -145.85 131.12 18.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.83 153.32 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -135.55 127.63 29.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.53 144.42 31.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.98 144.82 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 29.1 p90 -143.95 142.67 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -145.12 143.29 30.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 110.258 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.47 146.0 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' G' ' 15' ' ' GLN . 5.0 pt-20 -143.2 129.54 19.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -125.66 142.41 51.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.88 133.97 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' G' ' 35' ' ' MET . 12.7 tt -146.55 145.9 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 pt -145.95 143.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -147.23 146.16 15.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.727 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.11 145.0 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.5 mtp -140.56 131.2 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.495 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' H' ' 38' ' ' GLY . 16.6 t -97.93 141.83 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 -41.52 0.76 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 6.3 mp0 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -131.08 141.32 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.84 143.78 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.419 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.65 144.6 30.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -145.47 144.34 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.76 127.8 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.99 151.43 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.39 146.61 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 tp -146.27 145.48 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.401 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.64 143.53 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.222 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.83 15.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.12 143.64 30.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttm -140.89 134.3 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 110.588 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 37' ' ' GLY . 85.4 t -126.27 155.55 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.541 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 82.69 20.38 61.78 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -177.36 2.39 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 39' ' ' VAL . 29.6 m -86.95 145.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -105.72 118.65 37.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.643 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.24 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.179 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -147.7 144.73 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 7.2 p90 -146.5 145.12 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.319 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -146.46 146.31 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.47 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.54 135.24 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -124.08 135.48 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -100.78 144.61 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.62 -30.33 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.94 -44.83 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 p -163.99 -159.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -159.14 -165.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -171.99 84.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.19 117.02 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.21 133.89 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.535 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.498 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 pt -145.15 144.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.96 141.81 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.229 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 144.32 12.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.402 HD13 HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -147.5 146.86 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.504 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 15.4 ptm -144.42 141.71 29.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.611 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.89 117.6 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.424 ' N ' HG13 ' D' ' 24' ' ' VAL . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' D' ' 22' ' ' GLU . 58.0 tttp -107.07 129.95 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.626 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 144.33 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.197 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -146.66 143.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.427 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' CE2' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 144.43 30.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.531 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 2.2 p90 -145.87 144.89 30.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.345 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.1 127.94 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -120.82 142.88 49.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -122.27 141.49 51.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -145.82 56.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.88 -77.1 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.9 t -156.33 149.78 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -171.38 37.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -65.83 163.86 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.25 23.84 19.59 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.69 139.63 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.437 ' C ' HD12 ' C' ' 32' ' ' ILE . 7.3 tt -145.58 145.21 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.64 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.9 mp -143.49 141.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.091 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.844 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.66 144.8 13.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.844 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.06 145.01 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.402 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ptp -145.08 138.06 26.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 36' ' ' VAL . 29.2 m -117.27 124.55 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -128.67 131.02 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.609 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.92 143.98 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.163 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 t -146.72 144.0 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.455 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 31.8 p90 -145.08 144.0 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 21' ' ' ALA . 15.0 t80 -144.87 143.5 30.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.237 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' D' ' 20' ' ' PHE . . . -125.35 150.45 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 16' ' ' LYS . 35.0 tt0 -144.46 129.49 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -93.77 143.5 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.424 HG13 ' N ' ' C' ' 15' ' ' GLN . 34.3 m -81.35 -31.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.77 -28.45 0.11 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -58.44 171.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' D' ' 27' ' ' ASN . 0.7 OUTLIER -127.97 104.25 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -142.83 168.2 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -92.25 148.73 19.3 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.26 145.21 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.512 ' C ' HD12 ' D' ' 32' ' ' ILE . 10.1 tt -146.2 145.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.605 ' O ' HD12 ' E' ' 34' ' ' LEU . 3.9 mp -143.93 141.56 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.079 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.552 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.25 145.11 13.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.64 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.74 146.14 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.477 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ptp -144.78 134.54 23.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 t -103.17 118.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.533 ' N ' ' OE1' ' E' ' 15' ' ' GLN . 2.3 pm0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -106.08 137.05 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.512 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.678 ' CD1' ' HB2' ' F' ' 21' ' ' ALA . 11.6 tp -142.98 142.83 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.156 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.405 ' N ' ' HG ' ' E' ' 17' ' ' LEU . 12.3 p -145.51 142.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.84 144.81 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' E' ' 20' ' ' PHE . 20.9 p90 -145.65 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.274 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.9 140.14 53.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.59 136.2 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' E' ' 23' ' ' ASN . 1.5 m120 -119.41 137.19 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.99 51.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.14 -109.64 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -164.83 142.39 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 6.8 p-10 -154.28 -51.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt 44.85 74.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' F' ' 37' ' ' GLY . . . 149.11 62.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.83 40.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.3 145.31 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.352 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.65 144.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.83 145.93 15.29 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.721 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -145.45 144.39 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' E' ' 35' ' ' MET . 11.5 tmm? -143.64 144.35 31.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.54 154.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -119.17 140.52 50.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.82 143.64 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.129 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.38 144.44 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.533 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 8.9 p90 -145.53 144.59 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.321 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.9 t80 -145.31 144.4 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.266 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.678 ' HB2' ' CD1' ' E' ' 17' ' ' LEU . . . -122.31 156.32 34.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -145.03 138.68 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -121.21 120.25 34.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.54 -29.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.38 -86.67 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -52.34 144.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -172.27 170.54 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -172.15 -72.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -154.91 138.38 6.1 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.49 34.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.593 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.54 144.89 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.427 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.645 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.1 mp -143.62 141.44 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.442 ' C ' HD12 ' F' ' 34' ' ' LEU . . . -146.57 144.55 12.86 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.845 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -145.19 144.31 30.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -145.64 126.69 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.495 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.33 144.12 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -138.16 130.35 28.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.36 144.67 31.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.284 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.78 143.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.297 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.557 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.75 144.06 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.4 p90 -145.85 145.16 30.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.335 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 157.99 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' G' ' 22' ' ' GLU . 9.0 mp0 -141.18 126.92 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -125.64 143.21 51.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.459 HG13 ' N ' ' G' ' 25' ' ' GLY . 7.3 p -125.94 -40.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.459 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -67.11 -118.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -164.66 63.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -46.48 146.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.439 ' CB ' ' NZ ' ' G' ' 28' ' ' LYS . 6.6 ttpm? -75.21 -39.92 59.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -166.34 126.99 1.53 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 145.18 33.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 11.4 tt -145.45 144.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.11 141.1 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.595 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -146.91 144.97 13.28 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.73 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.2 mp -145.53 144.5 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ptm -145.04 130.72 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.493 HG22 ' N ' ' G' ' 37' ' ' GLY . 4.0 p -94.85 158.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.493 ' N ' HG22 ' G' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -137.99 118.09 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.03 144.11 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -146.47 143.91 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -144.78 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -145.38 143.96 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.4 128.28 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -119.56 127.75 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -118.84 141.85 48.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.31 141.38 28.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -146.96 146.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.874 ' H ' HD13 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.08 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.438 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.6 145.12 13.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.76 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.86 145.94 30.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.675 0.274 . . . . 0.0 110.458 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 62.4 mtt -139.17 139.51 37.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.58 132.78 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.524 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 124.36 -54.38 0.73 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.39 129.58 27.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.98 144.06 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.217 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.94 143.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.452 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -145.39 144.33 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.54 152.87 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.06 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.3 t30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.92 145.7 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.556 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.81 145.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.89 143.63 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.259 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.79 146.05 15.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.25 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mtt -141.5 138.53 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 35.4 m -114.88 124.05 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 157.62 -77.61 0.19 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.31 1.85 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.01 159.73 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.571 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' C' ' 23' ' ' ASN . 10.6 mp0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -138.13 126.44 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.885 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.47 144.61 31.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.66 144.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.53 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 2.9 p90 -146.05 145.03 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.9 p90 -145.31 144.48 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.6 135.01 46.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -118.55 128.96 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -124.92 126.23 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 25' ' ' GLY . 22.6 m -81.6 -38.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 24' ' ' VAL . . . -159.91 -43.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -64.07 76.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' GLY . 47.5 t-20 -100.03 -68.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm 61.41 -72.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 27' ' ' ASN . . . -166.97 132.68 2.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.92 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.491 ' C ' HD12 ' B' ' 32' ' ' ILE . 9.1 tt -145.69 145.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.373 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.6 mp -144.36 142.32 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.284 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.55 12.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.592 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -148.17 148.33 30.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.605 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -140.66 139.06 34.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.13 133.61 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -106.8 134.91 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' C' ' 34' ' ' LEU . 5.1 tt -143.87 144.04 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' B' ' 20' ' ' PHE . 78.0 t -144.84 142.73 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.364 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.9 t80 -142.52 140.43 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.932 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.51 143.01 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.228 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.85 158.05 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -142.8 129.32 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASN . . . . . 0.522 HD22 ' HB3' ' C' ' 28' ' ' LYS . 32.4 t-20 -125.8 123.27 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -89.08 -49.52 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.12 172.4 0.31 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -98.99 -6.55 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -157.02 121.24 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.522 ' HB3' HD22 ' C' ' 23' ' ' ASN . 40.2 tttm -161.29 95.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.58 103.23 0.21 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.1 142.76 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.15 146.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.592 HD11 HD11 ' B' ' 34' ' ' LEU . 17.7 pt -146.07 144.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.394 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.668 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.56 145.01 13.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.69 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -145.99 145.2 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.635 0.255 . . . . 0.0 110.471 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttp -136.96 144.4 43.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.78 117.7 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.52 ' CD ' HD21 ' E' ' 23' ' ' ASN . 34.6 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -105.76 121.96 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.507 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.34 144.5 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.25 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -146.98 144.33 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 1.6 p90 -146.4 145.17 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.473 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -145.57 144.83 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.329 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.83 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -145.33 126.97 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' D' ' 23' ' ' ASN . 1.6 m120 -125.37 142.12 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.41 -20.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.3 -68.49 1.42 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -170.11 133.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.537 ' O ' ' ND2' ' D' ' 27' ' ' ASN . 2.3 p-10 -147.54 118.94 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -80.49 -34.58 35.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -176.5 142.98 6.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.31 40.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.97 145.4 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.4 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.69 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.1 mp -143.41 141.4 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.056 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.8 145.03 13.42 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.75 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.628 0.251 . . . . 0.0 110.401 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ptp -143.43 132.98 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 36' ' ' VAL . 6.2 m -133.16 133.01 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' D' ' 27' ' ' ASN . 28.1 mt-30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -110.76 133.96 52.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.545 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -143.89 144.29 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 179.671 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.9 143.89 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.735 0.302 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.65 144.79 30.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.372 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 3.6 p90 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.308 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.68 150.89 48.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.15 145.35 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASN . . . . . 0.52 HD21 ' CD ' ' D' ' 15' ' ' GLN . 50.4 t-20 -99.05 141.29 31.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.69 32.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -178.93 -103.31 0.17 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -151.19 82.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.517 ' OD1' ' NE2' ' D' ' 15' ' ' GLN . 6.6 p-10 -66.65 156.62 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -172.76 139.17 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.37 27.62 53.69 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.85 141.04 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -145.3 144.8 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.344 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.7 pt -146.3 143.5 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.4 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.22 146.35 16.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.666 ' HB3' HG23 ' F' ' 32' ' ' ILE . 0.2 OUTLIER -146.89 145.79 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.408 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -144.38 145.1 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.84 153.73 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -105.9 125.88 51.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.95 143.77 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.205 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -146.74 144.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 10.9 p90 -145.18 144.07 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.316 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 20.9 t80 -144.78 143.57 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.536 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -125.41 155.65 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -142.86 132.06 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.69 129.23 49.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.576 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -52.67 -54.51 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 53.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 84.2 p -147.19 -75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.595 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.517 ' N ' ' OG ' ' F' ' 26' ' ' SER . 19.3 p-10 -67.03 138.7 57.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -137.91 121.43 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.96 91.02 0.14 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.96 145.85 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -146.02 145.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.5 mp -143.74 141.52 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.97 13.24 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.561 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.04 146.17 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.704 0.287 . . . . 0.0 110.446 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.05 127.84 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.504 ' O ' HG23 ' F' ' 36' ' ' VAL . 5.2 m -130.84 127.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -105.92 134.48 48.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.15 144.29 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.249 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.12 143.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.373 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.61 143.92 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.302 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' G' ' 20' ' ' PHE . 4.8 p90 -145.73 144.89 30.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.98 149.2 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -143.41 131.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -103.83 140.58 37.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.18 28.78 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.46 -98.69 0.11 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 55.0 p -161.42 -176.74 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.87 -155.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -154.62 75.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 116.33 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.54 145.13 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.622 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.49 144.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.9 mp -143.59 141.57 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.477 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.02 145.19 13.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.808 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -144.86 143.55 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.634 ' N ' ' SD ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -146.15 138.34 25.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.619 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.44 144.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' H' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' H' ' 16' ' ' LYS . 9.2 mtmp? -130.54 118.56 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.41 144.4 31.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.195 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.54 144.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 0.0 110.424 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' H' ' 19' ' ' PHE . 25.6 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.275 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.21 143.81 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.282 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.93 158.16 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -143.53 137.87 28.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -119.82 135.92 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.05 139.54 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 tt -146.87 146.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.442 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.888 ' H ' HD13 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.53 144.39 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.44 145.35 14.18 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.726 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -145.97 144.61 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.655 0.264 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 47.4 mtm -144.53 127.78 16.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' H' ' 38' ' ' GLY . 31.0 m -111.32 150.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.68 1.22 3.35 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -134.79 139.78 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.9 143.83 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.161 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -146.73 144.08 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 34' ' ' LEU . 42.9 p90 -144.59 143.41 30.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -145.05 143.54 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.231 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 157.33 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -120.72 134.78 55.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.6 136.35 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mt -146.44 145.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.875 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -146.48 144.1 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.429 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 145.73 14.92 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.682 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -146.39 145.01 30.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ttt -139.1 131.32 28.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -112.98 141.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.21 47.47 17.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.86 -152.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.7 151.77 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.536 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -105.83 131.03 53.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.887 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.15 144.33 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.265 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.33 143.74 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.392 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -145.6 143.86 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.277 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.4 p90 -145.83 145.12 30.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.06 147.62 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.13 128.57 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.28 143.02 50.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.42 23.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 26' ' ' SER . . . 164.48 174.24 34.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 25' ' ' GLY . 7.3 m 59.87 147.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -153.28 28.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.33 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 124.81 0.97 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.8 142.59 33.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -145.86 145.56 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mp -143.87 141.61 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.089 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.574 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -146.81 145.04 13.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.757 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.7 OUTLIER -144.77 143.6 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.9 ptm -145.27 134.83 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 17' ' ' LEU . 2.7 p -125.35 131.55 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -112.41 123.68 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.545 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -143.71 143.55 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.09 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -147.18 144.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 9.9 p90 -145.52 144.45 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 21' ' ' ALA . 9.9 t80 -144.88 143.86 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.234 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' C' ' 20' ' ' PHE . . . -123.17 158.2 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.547 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' D' ' 15' ' ' GLN . 41.6 tt0 -135.23 142.42 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -125.63 120.15 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -117.44 16.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.14 -131.91 2.04 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -99.66 127.86 45.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.593 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -58.22 -179.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -157.42 -56.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 162.74 78.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.72 137.01 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.522 ' C ' HD12 ' C' ' 32' ' ' ILE . 8.2 tt -146.1 145.82 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.522 HD12 ' C ' ' C' ' 31' ' ' ILE . 4.9 mp -143.23 140.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' D' ' 33' ' ' GLY . . . -147.69 145.41 14.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.543 ' CB ' HG22 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.93 146.22 30.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.461 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.3 ptm -145.73 129.98 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -125.1 158.68 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' C' ' 22' ' ' GLU . 74.1 mt-30 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' C' ' 22' ' ' GLU . 39.9 tttp -110.51 135.95 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.98 144.27 31.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.78 144.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.25 143.97 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -145.67 144.79 30.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.322 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.47 144.43 51.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -139.43 128.31 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.58 144.51 43.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.482 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.11 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.75 69.33 0.05 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -177.09 57.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -85.51 140.02 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -159.48 103.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.93 85.18 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.39 139.67 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.67 146.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.543 HG22 ' CB ' ' C' ' 34' ' ' LEU . 0.9 OUTLIER -145.85 143.52 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.292 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' C' ' 33' ' ' GLY . . . -146.32 145.36 14.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.864 ' N ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -144.3 142.85 30.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.8 ptm -145.69 135.61 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.72 153.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -132.39 134.82 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.518 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.621 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -144.05 143.97 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.189 179.676 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -146.7 143.94 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.549 ' HZ ' HD13 ' D' ' 34' ' ' LEU . 14.4 p90 -145.26 143.92 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' E' ' 20' ' ' PHE . 11.2 p90 -145.51 144.69 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.349 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.84 152.62 29.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -145.16 132.89 21.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASN . . . . . 0.601 HD22 ' CA ' ' E' ' 26' ' ' SER . 42.6 t30 -98.67 146.06 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 m -123.38 18.7 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.19 -57.79 0.12 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.601 ' CA ' HD22 ' E' ' 23' ' ' ASN . 6.3 t -167.44 122.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 13.7 p-10 -86.53 172.52 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -143.24 68.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.53 130.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG23 ' F' ' 36' ' ' VAL . . . -142.37 145.38 33.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 tt -145.99 145.53 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.4 mp -144.12 141.93 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.135 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.854 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.53 144.68 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.854 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.59 145.63 30.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.9 ptp -144.88 123.92 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.548 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -110.8 130.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -135.01 144.26 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -143.24 143.07 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.128 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.75 142.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.307 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.16 144.94 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' F' ' 20' ' ' PHE . 1.1 p90 -145.6 144.69 30.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.53 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.516 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -140.53 149.01 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -98.58 146.58 25.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.451 ' O ' HG22 ' F' ' 24' ' ' VAL . 13.9 p -133.71 -9.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.9 -111.7 0.61 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t 174.94 77.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -92.01 -152.5 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -168.99 135.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 89.97 68.46 1.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 140.33 34.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 tt -146.46 146.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.406 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.582 HG22 ' CB ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -146.28 143.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.96 146.27 15.96 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -146.09 144.7 30.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 110.327 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.69 139.5 28.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.462 HG22 ' N ' ' F' ' 37' ' ' GLY . 5.3 p -123.65 155.79 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.563 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.462 ' N ' HG22 ' F' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -105.77 135.08 47.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.879 HD23 ' N ' ' G' ' 17' ' ' LEU . 1.3 pt? -144.21 144.29 31.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.17 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.18 144.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.46 144.76 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.326 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.79 145.45 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.338 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.53 158.4 29.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' H' ' 16' ' ' LYS . 51.1 mt-10 -139.19 142.12 37.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -125.12 140.39 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.406 ' O ' HG22 ' G' ' 24' ' ' VAL . 7.6 p -155.68 -16.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.551 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.88 -112.36 0.79 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -161.23 97.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.85 -178.04 5.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -164.06 93.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . 135.79 98.1 0.54 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.05 131.15 28.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.526 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.5 tt -146.39 145.87 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.694 HG21 ' CZ ' ' G' ' 19' ' ' PHE . 4.9 mp -144.05 142.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.291 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.33 143.9 12.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.09 146.64 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.7 ptp -142.36 145.53 34.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.409 HG23 ' O ' ' G' ' 36' ' ' VAL . 16.0 m -123.16 133.46 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' G' ' 22' ' ' GLU . 16.2 mtmm -129.45 133.55 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.67 31.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -147.4 144.44 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.487 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -145.31 144.57 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.343 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -145.54 144.07 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.231 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -137.05 130.71 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -121.97 136.64 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.32 145.64 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -146.1 145.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.42 143.25 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.227 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.86 145.75 14.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.3 OUTLIER -145.13 143.63 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mmt -142.81 130.06 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.511 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.467 HG12 ' N ' ' H' ' 37' ' ' GLY . 32.7 t -106.77 158.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 49.88 24.04 5.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 22' ' ' GLU . 11.4 ttmm -138.75 118.55 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.23 144.33 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.226 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -146.44 143.99 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.39 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -144.85 143.42 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.55 144.01 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.266 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.89 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.633 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -120.45 141.4 50.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -93.63 145.53 24.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.5 m -71.12 -3.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.58 60.04 0.32 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -163.22 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.8 OUTLIER 59.69 62.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -165.93 -7.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.46 -19.83 6.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 135.89 36.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -147.19 146.88 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.454 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 32' ' ' ILE . 9.2 pt -146.18 143.85 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.22 146.02 15.38 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.841 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.7 pt? -146.71 145.64 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 0.0 110.465 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 ttt -142.3 123.53 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 37' ' ' GLY . 7.4 p -108.26 158.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 36' ' ' VAL . . . 46.79 48.78 17.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.84 -126.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.59 144.89 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.518 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.498 ' CD ' ' N ' ' B' ' 15' ' ' GLN . 14.7 mp0 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.28 138.11 46.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 144.31 31.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.196 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.74 144.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.672 ' CE2' ' CE1' ' C' ' 19' ' ' PHE . 1.2 p90 -146.46 144.94 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.354 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -145.61 144.77 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.32 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.8 136.09 50.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.486 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' LYS . 28.5 mt-10 -136.1 127.46 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -111.11 139.39 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -128.96 21.86 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.33 157.46 27.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -79.47 72.92 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.407 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 14.7 p30 -80.06 171.64 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -82.68 -160.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.64 136.3 7.77 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.33 130.08 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.651 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.2 pp -146.0 145.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.369 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.48 143.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.285 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.71 146.44 16.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -145.95 144.57 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.658 0.266 . . . . 0.0 110.323 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.3 ptp -145.43 131.94 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.494 HG22 ' N ' ' B' ' 37' ' ' GLY . 5.8 p -114.57 157.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 36' ' ' VAL . . . 177.79 -154.96 16.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.31 65.03 0.3 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.14 133.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.588 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' D' ' 22' ' ' GLU . 30.4 tttp -128.1 116.88 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.642 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.27 144.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -145.96 143.04 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.324 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.754 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -144.92 143.76 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.275 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD2' HG23 ' D' ' 18' ' ' VAL . 0.1 OUTLIER -145.64 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.31 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 156.1 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -143.03 128.26 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASN . . . . . 0.421 HD22 ' N ' ' D' ' 15' ' ' GLN . 6.7 t-20 -125.02 126.62 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.65 -58.45 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.17 0.17 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -156.98 127.68 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -84.75 125.43 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.58 -58.6 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -160.57 107.3 0.31 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.3 137.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -145.75 145.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' D' ' 34' ' ' LEU . 32.9 mt -143.63 141.11 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.99 145.1 13.51 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -146.4 145.4 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.685 0.279 . . . . 0.0 110.427 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -144.38 137.99 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.92 150.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 95.8 -38.33 3.15 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 44.44 -162.41 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -124.88 140.73 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.6 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.421 ' N ' HD22 ' C' ' 23' ' ' ASN . 35.1 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' D' ' 16' ' ' LYS . 8.2 mtpm? -117.31 128.97 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.42 HD11 HD11 ' C' ' 32' ' ' ILE . 4.9 tt -143.89 144.39 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.481 HG23 ' CD2' ' C' ' 20' ' ' PHE . 2.8 m -145.68 142.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.319 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 3.8 t80 -144.84 143.26 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.701 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 20.4 m-85 -144.56 143.43 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.251 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.85 151.35 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 16' ' ' LYS . 36.8 mt-10 -145.68 127.05 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.54 145.73 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.97 61.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.48 -95.17 0.14 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -160.44 145.63 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' D' ' 28' ' ' LYS . 6.6 t-20 -123.28 -169.87 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' D' ' 27' ' ' ASN . 32.7 ttpt -163.52 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -156.56 102.54 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.94 145.53 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -145.65 145.1 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.6 mp -143.85 141.77 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.123 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.2 144.59 13.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.633 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -144.69 143.4 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptm -144.53 138.39 27.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.2 t -108.69 149.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.92 103.78 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . -138.73 -128.25 2.56 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.97 140.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.562 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.57 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.77 116.68 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.94 144.24 31.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.177 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.84 143.71 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' F' ' 19' ' ' PHE . 21.1 p90 -147.27 146.03 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.526 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -146.05 145.5 30.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.348 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.24 51.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -131.67 126.78 35.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -110.36 138.22 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -74.44 -63.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.48 -109.4 3.36 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -115.0 -168.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -168.13 170.7 10.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -81.64 -54.61 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.99 113.36 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.33 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.78 145.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.413 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.719 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.7 mp -143.6 141.46 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.062 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 145.13 13.59 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.02 144.73 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ptm -144.82 124.92 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.4 147.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.73 -151.64 10.22 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.61 -60.35 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.85 135.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.566 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -105.65 140.04 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.909 HD23 ' N ' ' F' ' 17' ' ' LEU . 0.8 OUTLIER -144.02 144.05 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.192 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -145.23 143.21 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.637 ' CE2' ' CD2' ' E' ' 19' ' ' PHE . 2.0 t80 -142.46 140.3 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.5 t80 -144.42 143.07 30.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.268 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.573 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -136.42 150.31 48.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -133.08 142.1 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -123.01 139.81 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.447 HG23 ' N ' ' F' ' 25' ' ' GLY . 35.1 m -67.14 -39.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.447 ' N ' HG23 ' F' ' 24' ' ' VAL . . . -169.22 -97.1 0.11 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -79.27 151.81 30.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' F' ' 28' ' ' LYS . 64.5 t-20 -163.5 144.08 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' F' ' 27' ' ' ASN . 12.6 ptpt -167.17 129.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.49 1.68 53.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 128.04 42.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 tt -146.39 145.84 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.461 HD12 ' CE1' ' F' ' 19' ' ' PHE . 9.2 pt -146.54 144.2 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 146.09 15.54 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.719 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -145.8 144.75 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.8 OUTLIER -140.97 137.12 32.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.523 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.416 HG12 ' O ' ' G' ' 30' ' ' ALA . 3.7 p -106.65 147.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.17 39.68 97.5 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.34 -132.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -137.37 145.06 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.602 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.58 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -109.58 132.32 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.592 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.4 HD11 HD13 ' G' ' 34' ' ' LEU . 2.2 pp -143.95 143.96 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.6 143.68 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' G' ' 32' ' ' ILE . 42.2 p90 -147.08 145.21 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.7 p90 -145.89 145.67 30.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.319 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.09 157.83 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -144.78 127.11 15.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -107.13 140.25 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.47 -19.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.32 -77.44 0.19 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.9 p -56.83 115.17 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.48 152.36 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.09 -61.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -174.43 114.29 0.5 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.416 ' O ' HG12 ' F' ' 36' ' ' VAL . . . -95.75 142.19 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.431 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.1 pt -145.24 145.07 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.345 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.751 HG21 ' CE2' ' G' ' 19' ' ' PHE . 4.6 mp -144.26 141.95 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.32 145.13 13.48 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.4 HD13 HD11 ' G' ' 17' ' ' LEU . 1.3 pp -147.51 146.82 29.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.72 137.13 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 m -109.94 147.72 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . 83.63 99.76 0.56 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . 161.05 -110.82 0.46 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 m -145.83 153.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.567 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -137.99 133.16 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.21 144.03 31.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.199 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t -147.73 144.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -144.84 144.0 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.238 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -145.79 144.31 30.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.295 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.41 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -144.92 130.52 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -121.2 132.1 54.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -160.73 -33.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.26 106.57 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m 53.03 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.594 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -47.88 153.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.93 173.52 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' G' ' 37' ' ' GLY . . . 149.49 43.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.67 145.28 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.53 146.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.6 143.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 145.36 14.18 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.39 143.75 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 32.2 ttm -144.26 134.53 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.52 141.68 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.74 91.28 0.25 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -89.43 -102.85 1.07 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.48 143.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.545 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.54 126.51 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.65 143.63 31.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.132 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -146.86 143.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -145.72 144.65 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -145.27 144.35 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 153.22 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -139.4 145.36 38.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -124.5 129.82 51.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.11 -166.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.88 101.04 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -168.43 -107.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.48 61.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' A' ' 28' ' ' LYS . 9.1 mtmp? 45.51 -111.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.72 -18.79 8.27 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -146.95 146.7 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.451 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -145.63 143.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.273 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.8 15.0 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.02 143.4 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 mtt -145.11 137.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.04 136.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 49.39 79.02 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -68.4 -142.67 0.1 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.81 157.65 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.578 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 128.16 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.649 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.14 144.26 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.223 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.84 143.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 15.6 p90 -146.07 144.85 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.334 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -145.33 144.54 30.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.298 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.28 157.38 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.341 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -134.95 144.01 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.43 136.72 33.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 68.1 t -149.11 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.18 -105.0 0.85 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -170.33 82.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -76.3 -162.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -142.07 -8.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 159.68 104.67 0.2 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.66 144.0 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.544 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.9 tt -146.16 145.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.733 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.9 mp -144.3 142.18 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.251 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.37 144.88 13.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.632 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -147.85 147.5 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.595 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.19 139.14 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.495 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.37 138.28 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.59 56.26 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.6 164.92 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 86.3 t -85.47 127.32 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.547 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -119.41 141.74 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.75 144.0 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.216 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -145.0 142.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' C' ' 32' ' ' ILE . 1.2 t80 -142.19 140.07 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' C' ' 21' ' ' ALA . 6.2 t80 -144.8 143.44 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.264 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.563 ' N ' ' CD1' ' C' ' 20' ' ' PHE . . . -138.27 153.2 49.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -139.22 128.47 24.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -93.77 121.75 35.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.01 -30.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.93 78.79 1.32 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.9 m -161.08 -109.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -79.77 -162.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -155.79 137.77 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.95 60.77 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.11 140.81 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.404 HD13 HG21 ' C' ' 31' ' ' ILE . 6.9 pt -145.48 144.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.632 HD11 HD11 ' B' ' 34' ' ' LEU . 23.5 pt -146.0 143.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.432 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.66 14.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.764 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.45 145.54 30.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.36 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -145.37 151.22 37.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -90.89 117.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 135.71 108.68 0.96 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.412 ' H ' ' HA3' ' D' ' 29' ' ' GLY . . . -91.31 -95.88 1.28 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -150.56 133.99 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.596 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -107.72 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.25 144.41 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.64 144.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 4.7 p90 -145.81 144.35 30.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -145.92 145.19 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.401 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.88 146.64 46.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.547 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -135.01 127.19 29.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -105.87 140.19 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.53 -31.52 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.83 38.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 p -177.84 139.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' D' ' 27' ' ' ASN . 0.5 OUTLIER -176.77 110.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -58.53 -23.95 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . 159.08 152.87 6.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' C' ' 37' ' ' GLY . . . -142.74 145.9 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.15 143.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.298 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.9 mp -143.14 141.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.586 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.15 145.17 13.61 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.693 HD12 HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.85 145.19 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 110.341 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -136.66 122.68 20.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.493 HG12 ' N ' ' D' ' 37' ' ' GLY . 99.4 t -100.38 158.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.493 ' N ' HG12 ' D' ' 36' ' ' VAL . . . -163.15 -158.75 9.98 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.425 ' H ' ' H ' ' D' ' 39' ' ' VAL . . . -167.27 -7.42 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.425 ' H ' ' H ' ' D' ' 38' ' ' GLY . 39.3 t -86.0 146.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.602 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -130.44 141.37 50.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.516 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -143.89 144.38 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.206 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -145.73 142.86 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 110.347 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -144.82 143.52 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.327 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' E' ' 21' ' ' ALA . 6.9 t80 -144.89 143.54 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.219 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CE1' ' E' ' 20' ' ' PHE . . . -130.65 146.63 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.57 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -142.46 131.84 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.71 136.94 55.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -77.81 -17.33 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.57 -173.61 25.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 128.08 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -89.75 158.13 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -71.49 -58.19 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . -162.53 72.9 0.2 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 140.15 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -146.13 145.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.855 ' H ' HD13 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.44 145.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.511 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.887 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.69 145.74 14.93 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.887 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.81 145.73 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 110.441 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -144.27 144.78 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.47 117.82 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.599 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 163.63 -61.96 0.26 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 45.39 -171.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 t -95.19 134.75 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.591 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -105.8 119.28 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.639 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.01 144.33 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.193 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.19 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.491 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 17.2 p90 -146.09 144.92 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' F' ' 20' ' ' PHE . 29.1 p90 -145.64 145.05 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.413 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.19 42.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -136.89 126.88 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -93.57 146.26 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -143.89 37.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.13 151.15 25.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 71.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -128.33 174.78 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -144.98 -147.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -79.36 149.86 32.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.22 37.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.601 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.99 144.96 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.678 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.4 mp -143.72 141.5 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 145.95 15.19 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.03 144.61 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 110.321 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.477 ' CB ' HG22 ' G' ' 31' ' ' ILE . 7.5 ptp -144.75 128.47 17.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -98.51 148.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 29' ' ' GLY . . . 73.81 -56.18 2.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.43 4.58 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 m -150.04 161.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.547 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.486 ' CD ' ' N ' ' G' ' 15' ' ' GLN . 1.9 mp0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -105.98 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.92 144.15 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.213 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.66 143.99 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -144.83 143.59 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.299 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' G' ' 21' ' ' ALA . 10.0 t80 -145.09 143.56 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.213 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' G' ' 20' ' ' PHE . . . -125.38 142.66 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.566 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' H' ' 16' ' ' LYS . 25.2 tt0 -130.14 127.25 39.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' OE1' ' H' ' 15' ' ' GLN . 9.7 m120 -120.79 126.14 49.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.98 -54.1 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 66.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -161.16 167.52 26.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 m120 56.01 171.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -152.54 154.06 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . 75.77 94.44 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.44 138.23 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' F' ' 35' ' ' MET . 5.9 pt -145.03 144.77 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.349 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.0 mp -143.55 141.13 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -146.59 144.75 13.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.681 ' H ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -145.88 144.9 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 0.0 110.427 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.5 tmt? -144.36 126.5 15.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -122.14 117.83 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.16 -108.2 0.19 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.71 -84.15 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.2 146.01 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.548 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.404 ' OE1' ' ND2' ' G' ' 23' ' ' ASN . 29.1 mt-30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' G' ' 22' ' ' GLU . 2.8 tptp -138.03 126.04 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.4 31.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.175 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -146.43 144.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 30.5 p90 -144.64 143.09 30.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.336 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -145.34 143.94 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.247 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.33 140.04 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -141.22 133.3 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' H' ' 24' ' ' VAL . 41.2 t-20 -106.75 145.62 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' H' ' 23' ' ' ASN . 11.6 t -47.96 -37.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.06 175.31 23.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -81.45 121.74 26.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -157.17 110.69 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -62.19 102.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.16 -12.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.03 131.87 41.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 17.6 pt -146.29 145.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' G' ' 34' ' ' LEU . 9.9 pt -145.96 143.51 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.71 145.82 15.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.706 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.4 OUTLIER -145.23 143.72 30.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.347 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 12.4 tpt -144.77 124.77 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.558 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 m -113.33 152.4 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.37 33.53 68.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -64.29 161.07 38.67 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -86.03 123.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.609 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 3.5 mp0 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -120.54 115.46 23.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.16 144.25 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.262 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -146.81 143.83 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.397 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -145.11 144.27 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -145.14 143.68 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.255 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.19 158.21 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -129.87 130.77 45.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 58.0 m-80 -125.94 120.34 30.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -86.41 62.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.75 -116.92 0.81 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 28' ' ' LYS . 18.7 p -82.37 137.01 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.7 m-20 -73.99 12.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 26' ' ' SER . 18.4 mtpp -97.64 -21.15 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 -69.6 1.23 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -95.83 145.56 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 110.553 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 tt -146.88 146.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.414 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.88 143.95 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.27 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.85 145.7 14.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.3 143.92 30.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 tpt -143.83 136.11 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.7 m -131.28 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.06 -9.66 70.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.4 129.37 10.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -85.97 141.07 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.588 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -138.43 122.48 17.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 144.38 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.216 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.22 144.4 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.6 OUTLIER -146.78 145.39 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.424 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 1.2 p90 -145.39 144.79 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.379 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 128.73 44.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -119.21 128.77 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' B' ' 23' ' ' ASN . 1.5 m-20 -95.92 138.15 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.47 -31.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.55 -91.62 2.04 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -152.84 175.77 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -152.06 176.2 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -153.16 -27.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.09 120.17 0.83 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.08 144.2 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.482 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.2 tt -146.2 145.5 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.8 mp -143.98 142.13 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.198 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.83 12.05 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' C' ' 19' ' ' PHE . 0.7 OUTLIER -147.69 146.84 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.504 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.66 144.82 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 30' ' ' ALA . 4.2 p -142.45 140.53 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.04 -79.29 0.87 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.14 -161.76 20.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.82 136.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.581 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 18.2 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -105.5 132.99 50.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.904 HD23 ' H ' ' C' ' 17' ' ' LEU . 1.5 pt? -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.226 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -146.08 143.49 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.392 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.11 143.52 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.293 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.545 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 2.6 p90 -145.85 144.96 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.24 141.49 52.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.05 134.18 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -105.54 128.44 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.27 -77.21 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.52 -87.83 0.52 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -169.48 122.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -80.94 -179.79 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -158.63 44.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 90.51 1.26 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.02 145.22 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -145.07 144.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.4 mp -143.63 141.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.31 144.55 12.93 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.41 145.19 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptp -144.94 140.3 28.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -102.87 143.6 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.18 32.57 82.99 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . -45.9 -65.2 2.1 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -95.03 147.06 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.59 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.573 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' E' ' 23' ' ' ASN . 32.7 mt-30 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.473 ' HB3' ' HZ3' ' D' ' 16' ' ' LYS . 4.8 ttpm? -135.37 136.22 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.472 ' H ' HD12 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -143.86 143.45 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.12 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -147.72 144.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 25.0 p90 -145.97 145.04 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.2 p90 -145.5 144.8 30.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.279 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.56 158.53 31.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -141.11 126.92 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -104.63 141.35 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.411 HG22 ' O ' ' D' ' 24' ' ' VAL . 14.7 p -139.98 -13.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.88 -93.28 0.67 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.8 m -91.58 179.99 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' D' ' 29' ' ' GLY . 55.8 m-20 -136.25 -46.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttm 54.05 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' D' ' 27' ' ' ASN . . . 177.21 102.17 0.15 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.86 143.74 27.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.416 ' C ' HD12 ' D' ' 32' ' ' ILE . 8.2 tt -145.83 145.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.7 mp -143.58 141.25 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.61 14.53 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.934 ' O ' HD12 ' D' ' 34' ' ' LEU . 0.9 OUTLIER -146.23 145.19 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' D' ' 35' ' ' MET . 12.9 tmm? -144.2 132.78 22.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.42 156.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.19 62.91 4.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.61 -124.58 0.13 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.21 137.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.335 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.569 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' F' ' 22' ' ' GLU . 52.5 tttm -132.91 143.07 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' F' ' 21' ' ' ALA . 5.2 tt -143.74 144.14 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.188 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.63 143.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.365 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.36 144.62 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.316 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 2.4 p90 -145.53 144.22 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.342 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.56 142.23 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -129.37 126.7 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' D' ' 15' ' ' GLN . 1.7 m-20 -100.0 123.2 43.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.607 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.421 HG22 ' H ' ' E' ' 24' ' ' VAL . 6.2 m -95.99 137.22 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.76 -115.11 3.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -95.73 177.85 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' E' ' 28' ' ' LYS . 15.8 t-20 -163.41 174.22 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 32.3 mttp -132.13 -132.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . -91.16 123.09 6.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 145.28 34.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.444 ' C ' HD12 ' E' ' 32' ' ' ILE . 8.4 tt -145.43 144.38 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.3 mp -144.38 142.16 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 144.73 13.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.759 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -145.17 144.03 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -144.49 136.87 26.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -111.0 123.25 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 106.13 20.28 9.38 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . -63.52 -173.06 2.41 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 87.8 t -86.4 140.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.542 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.443 ' HG2' HD22 ' E' ' 27' ' ' ASN . 18.6 mt-30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -106.14 130.22 54.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.96 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.12 144.42 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' G' ' 34' ' ' LEU . 9.4 p90 -145.72 144.52 30.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.334 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.06 144.3 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' E' ' 17' ' ' LEU . . . -117.48 158.89 23.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' E' ' 16' ' ' LYS . 13.3 tt0 -135.5 144.75 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -125.91 145.88 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.8 2.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.14 -97.85 0.13 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -145.54 174.87 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.432 HD21 ' HA3' ' G' ' 37' ' ' GLY . 12.9 p-10 -166.86 158.83 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -75.85 -50.63 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . 176.31 133.72 1.83 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.0 141.92 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.441 ' C ' HD12 ' F' ' 32' ' ' ILE . 9.0 tt -145.87 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' E' ' 34' ' ' LEU . 4.5 mp -143.23 141.07 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.066 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.43 144.62 12.98 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.55 144.31 30.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.638 0.256 . . . . 0.0 110.346 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.6 ptm -145.26 134.6 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 110.519 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.52 158.06 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . 91.65 121.0 2.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.44 -96.2 0.11 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.87 152.12 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.535 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -137.97 131.89 31.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.457 HD23 ' N ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -144.18 144.38 31.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.191 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -146.25 143.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.98 144.31 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.329 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' G' ' 20' ' ' PHE . 23.1 p90 -145.92 145.24 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.397 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 138.29 48.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.25 126.63 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.34 126.25 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -149.53 33.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.24 -88.86 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -172.64 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.577 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.52 -178.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -168.86 117.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 60.1 4.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 141.96 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.99 145.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.694 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.8 mp -143.3 141.08 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.705 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.05 145.16 13.61 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.731 ' N ' HD12 ' G' ' 34' ' ' LEU . 2.1 mp -145.32 144.46 30.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptm -143.67 125.14 14.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -144.26 139.82 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' F' ' 27' ' ' ASN . . . 159.65 103.43 0.19 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.14 141.7 3.22 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.462 HG22 ' O ' ' G' ' 40' ' ' VAL . 2.3 p -150.32 131.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.462 ' O ' HG22 ' G' ' 39' ' ' VAL . 25.6 m . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -138.05 120.8 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.2 144.34 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.207 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.82 144.22 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 28.4 p90 -144.66 143.28 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -145.29 144.03 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.81 146.5 50.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -116.8 128.78 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -108.41 122.4 46.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.79 -25.79 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.79 62.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -157.1 140.47 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.551 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -105.64 14.22 28.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -149.87 151.75 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 8.07 51.35 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 120.91 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.54 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' H' ' 31' ' ' ILE . 8.3 mt -146.15 145.33 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.383 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.75 143.28 21.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.24 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.79 145.77 14.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.892 HD23 ' H ' ' H' ' 34' ' ' LEU . 1.5 pt? -146.15 144.75 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.261 . . . . 0.0 110.446 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 27.9 mtt -144.64 131.4 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.28 150.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.55 34.88 91.14 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.84 -156.85 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -85.91 139.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.588 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' B' ' 22' ' ' GLU . 85.5 mttt -133.95 126.93 31.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 144.61 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.258 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.21 143.99 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.724 0.297 . . . . 0.0 110.432 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -145.69 145.09 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -145.38 143.93 30.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.262 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.29 133.46 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -117.52 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 25' ' ' GLY . 3.4 m120 -119.68 125.58 49.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 m -48.31 -12.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 23' ' ' ASN . . . -156.84 -139.2 2.68 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -61.55 -141.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -157.77 98.56 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OG ' ' A' ' 26' ' ' SER . 6.5 ptpp? -157.6 66.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.97 -36.8 0.23 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 137.0 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -146.18 145.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.396 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.39 142.85 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.213 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.97 15.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.38 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -143.5 131.06 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.545 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.38 142.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.07 77.69 0.83 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -75.24 -153.37 3.81 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.97 151.77 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -138.21 123.46 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.12 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.192 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.39 144.27 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 24.8 p90 -147.93 146.5 29.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.3 p90 -145.75 145.68 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 154.72 35.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' LYS . 29.3 tt0 -145.51 144.36 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.528 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.666 HD22 ' N ' ' C' ' 15' ' ' GLN . 8.0 p-10 -124.88 133.44 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 24' ' ' VAL . 98.2 t -88.75 -15.82 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 26' ' ' SER . . . 166.79 44.21 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 25' ' ' GLY . 40.7 m -169.96 122.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -155.95 55.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -47.27 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -158.29 96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 142.14 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' B' ' 32' ' ' ILE . 6.1 tt -146.12 145.61 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.578 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.26 141.23 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.198 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.6 144.5 12.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.75 148.02 30.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ptp -129.13 136.92 50.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.26 135.12 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.71 78.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.44 132.18 1.31 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 40' ' ' VAL . 7.4 p -153.52 153.65 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.561 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.424 ' N ' HG22 ' B' ' 39' ' ' VAL . 23.2 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.666 ' N ' HD22 ' B' ' 23' ' ' ASN . 83.7 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -109.16 143.14 38.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.99 144.41 31.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.22 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.91 143.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 5.6 t80 -144.66 142.51 30.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.174 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 3.5 p90 -146.65 145.93 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.97 158.27 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' D' ' 16' ' ' LYS . 13.4 mm-40 -139.68 127.45 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' C' ' 23' ' ' ASN . 1.9 m120 -122.13 130.31 53.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 t -67.66 -15.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.19 1.38 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -162.94 90.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.523 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -77.78 -178.15 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -172.28 34.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . 84.47 95.37 0.68 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' D' ' 36' ' ' VAL . . . -142.58 145.32 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.476 ' C ' HD12 ' C' ' 32' ' ' ILE . 25.7 mt -145.27 144.57 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.343 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.617 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.7 mp -144.2 142.01 24.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.181 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 144.68 13.0 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -146.14 145.02 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.668 0.271 . . . . 0.0 110.422 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptp -145.37 136.54 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.492 HG12 ' N ' ' C' ' 37' ' ' GLY . 54.8 t -107.32 158.07 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.492 ' N ' HG12 ' C' ' 36' ' ' VAL . . . 50.64 51.65 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.74 154.25 0.66 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.42 137.49 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.443 HG22 ' H ' ' C' ' 40' ' ' VAL . 8.9 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.523 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' D' ' 15' ' ' GLN . 11.6 mp0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' C' ' 22' ' ' GLU . 74.7 mttt -136.55 123.57 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.652 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.58 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.228 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HD1' ' C' ' 19' ' ' PHE . 97.9 t -147.12 143.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 1.3 p90 -146.5 145.63 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.31 145.95 30.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.93 158.37 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.483 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -142.04 127.0 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -120.22 126.86 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.24 -30.01 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.54 -37.79 0.18 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -82.38 151.04 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.658 HD22 ' ND2' ' F' ' 27' ' ' ASN . 13.0 p-10 -173.28 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -77.88 -50.38 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 121.78 0.82 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.72 143.29 51.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' D' ' 32' ' ' ILE . 7.3 pt -145.72 145.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.421 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.5 mp -143.94 141.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.158 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.5 144.78 13.17 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.21 145.16 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 110.449 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.4 ptm -144.55 135.89 25.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' C' ' 30' ' ' ALA . 3.9 t -110.43 117.69 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . 144.63 121.08 1.45 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.54 -100.34 0.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.38 153.86 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 110.529 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.546 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' F' ' 27' ' ' ASN . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -137.92 142.91 40.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' F' ' 32' ' ' ILE . 5.6 tt -144.18 144.61 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -145.97 142.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.251 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 145.33 30.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.539 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' E' ' 20' ' ' PHE . 13.1 p90 -145.35 144.17 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.246 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 153.03 39.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.42 132.46 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -126.15 121.9 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.23 -73.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.63 -98.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.0 m -161.36 148.31 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -140.86 159.61 41.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -165.9 135.47 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.87 61.91 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.72 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.78 145.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.371 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.591 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.6 OUTLIER -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.899 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.64 146.77 16.85 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.899 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.42 145.61 30.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.345 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 6.2 ptp -144.07 149.44 36.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.489 HG12 ' N ' ' E' ' 37' ' ' GLY . 61.5 t -114.55 158.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . -151.56 -134.69 2.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.46 ' HA3' ' H ' ' F' ' 28' ' ' LYS . . . 92.83 80.68 1.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -86.52 148.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -116.49 128.96 55.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.441 ' H ' HD12 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -144.01 143.83 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.166 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.9 144.19 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 15.1 p90 -145.33 143.92 30.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.299 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' F' ' 20' ' ' PHE . 8.4 p90 -146.02 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.377 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 158.45 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.96 126.8 17.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.59 132.24 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -84.76 -36.56 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 58.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' F' ' 27' ' ' ASN . 2.6 t 174.68 173.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.658 ' ND2' HD22 ' D' ' 27' ' ' ASN . 22.9 m120 56.65 155.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.46 ' H ' ' HA3' ' E' ' 38' ' ' GLY . 13.5 pttm -165.75 84.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 171.57 85.12 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.35 145.6 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.526 HG22 ' CB ' ' G' ' 35' ' ' MET . 12.7 pt -145.25 144.42 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.699 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.8 mp -143.96 141.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.204 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.936 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -146.98 144.81 13.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.936 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -145.86 145.27 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.374 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -136.02 123.14 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.463 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 26.6 t -80.56 153.82 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.79 -71.97 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.99 -155.58 26.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.92 134.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.58 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -106.71 142.52 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.86 143.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.141 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.77 144.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.63 144.91 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.429 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' G' ' 20' ' ' PHE . 17.6 p90 -145.56 144.83 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.268 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.94 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.576 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -144.47 126.39 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -125.76 136.96 53.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.8 -11.52 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -179.68 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . 0.433 ' O ' ' O ' ' G' ' 25' ' ' GLY . 10.3 t 48.92 100.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.25 -46.77 72.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -47.42 157.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -85.2 115.54 4.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 145.09 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.94 144.89 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.368 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.495 HD11 HD11 ' F' ' 34' ' ' LEU . 2.1 pp -146.33 144.03 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.417 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.42 146.54 16.42 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.759 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.4 mp -144.68 143.26 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.526 ' CB ' HG22 ' F' ' 31' ' ' ILE . 1.4 ptp -144.97 133.4 21.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 23.8 m -122.0 158.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.71 -89.43 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.46 -96.69 0.17 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -86.18 142.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.606 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -138.07 119.75 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.892 HD23 ' N ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -144.51 144.13 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.186 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' G' ' 20' ' ' PHE . 11.5 t -147.66 145.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.614 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.95 142.68 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.199 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -145.16 143.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.29 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.21 153.63 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.68 137.35 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -125.56 127.62 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.457 ' O ' HG13 ' H' ' 24' ' ' VAL . 10.9 p -72.5 130.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 165.56 35.77 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -79.6 -4.52 51.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.581 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -72.82 144.12 47.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -98.16 147.48 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.48 -21.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.54 144.53 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 110.525 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' G' ' 35' ' ' MET . 20.1 tt -146.74 145.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.879 ' H ' HD13 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.74 144.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.78 145.51 14.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.38 145.11 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.7 mtt -144.27 125.44 14.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' H' ' 37' ' ' GLY . 12.2 t -93.64 139.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' H' ' 36' ' ' VAL . . . 59.33 125.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -90.42 -166.22 41.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -94.94 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.53 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 22' ' ' GLU . 77.4 tttt -117.21 116.81 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 144.54 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.194 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.74 144.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.747 0.308 . . . . 0.0 110.502 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 29.8 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.299 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -145.21 143.86 30.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.343 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 17' ' ' LEU . . . -131.12 158.18 41.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -124.71 129.51 50.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 10.8 p-10 -125.51 131.5 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 25' ' ' GLY . 34.9 t -144.47 -30.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' VAL . . . -58.19 -116.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 p -63.53 -175.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 46.1 t-20 -68.33 -36.54 79.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -173.83 168.59 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.04 -6.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 140.56 30.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 35' ' ' MET . 12.5 tt -146.37 145.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.342 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 pt -146.01 143.86 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.318 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.07 145.91 15.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HB2' HG22 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.96 144.51 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.651 0.262 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 34' ' ' LEU . 4.2 mpp? -144.05 121.96 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.69 134.53 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . 72.44 38.59 57.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -44.81 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.3 p -98.1 128.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.532 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.426 ' CD ' ' N ' ' B' ' 15' ' ' GLN . 3.2 mp0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -117.49 122.08 42.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.785 ' C ' HD23 ' B' ' 17' ' ' LEU . 1.2 tt -143.79 143.87 31.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.209 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -146.32 143.51 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.727 0.299 . . . . 0.0 110.329 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' CE2' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 144.88 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.517 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -144.29 142.99 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.13 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 140.7 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' LYS . 54.5 mm-40 -133.28 131.01 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -125.57 133.62 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -82.17 -28.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.73 121.32 0.56 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -163.14 164.36 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.98 68.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -144.11 171.39 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -69.36 112.56 4.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 135.57 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -145.93 144.83 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -146.27 143.38 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.312 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.644 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -147.9 147.46 18.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.764 ' N ' HD12 ' B' ' 34' ' ' LEU . 1.1 mp -144.9 143.31 30.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' ILE . 14.5 ptm -146.24 132.18 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.452 HG13 HD13 ' B' ' 17' ' ' LEU . 2.4 m -112.66 158.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.49 -83.81 1.06 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.28 -171.82 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -143.17 147.38 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 22' ' ' GLU . 45.2 mttp -122.56 116.35 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.58 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.34 144.39 31.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 m -146.92 144.33 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.511 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' B' ' 19' ' ' PHE . 18.4 p90 -145.07 143.89 30.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.293 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 3.2 p90 -145.52 144.58 30.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.323 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.34 151.27 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -145.26 130.98 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' C' ' 23' ' ' ASN . 15.2 p-10 -123.62 123.27 40.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.48 -36.4 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.31 41.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.0 p -94.41 -94.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -154.75 -172.65 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.75 -140.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . 73.74 69.86 1.33 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 145.01 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.55 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -145.85 145.54 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.6 mp -143.7 141.45 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.12 144.41 12.81 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.529 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -145.76 144.58 30.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.629 0.252 . . . . 0.0 110.464 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.46 126.12 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.492 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.472 HG22 ' N ' ' C' ' 37' ' ' GLY . 14.6 p -106.82 157.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 52.78 51.19 46.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -93.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -148.91 154.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.561 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -131.47 139.9 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.92 144.4 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.205 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CZ ' ' D' ' 20' ' ' PHE . 77.2 t -146.02 143.01 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.707 0.289 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -145.89 144.72 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.429 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' D' ' 19' ' ' PHE . 31.4 m-85 -144.58 143.56 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.219 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.14 158.58 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 16' ' ' LYS . 26.6 mt-10 -141.79 129.69 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -123.88 129.17 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.426 HG13 ' N ' ' D' ' 25' ' ' GLY . 7.6 p -132.62 -38.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.426 ' N ' HG13 ' D' ' 24' ' ' VAL . . . -87.58 -106.03 0.9 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.4 m -130.55 -176.63 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.529 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' D' ' 29' ' ' GLY . 5.9 m120 -156.26 -64.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm 67.3 -35.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' D' ' 27' ' ' ASN . . . -162.78 101.71 0.19 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.69 132.84 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.599 ' C ' HD12 ' D' ' 32' ' ' ILE . 5.4 pt -145.39 144.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.599 HD12 ' C ' ' D' ' 31' ' ' ILE . 3.8 mp -144.02 141.7 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.909 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.28 144.58 12.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.909 HD23 ' C ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -146.54 146.44 30.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.463 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -135.85 140.95 44.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.25 158.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' D' ' 38' ' ' GLY . . . 71.43 31.22 65.95 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . -58.4 -121.02 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 24.7 m -95.65 133.46 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.543 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.581 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.95 132.31 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.637 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.219 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.64 143.24 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.347 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 19.7 p90 -146.7 145.65 30.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -145.99 145.54 30.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.373 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.13 157.91 22.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -145.2 141.92 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -96.23 124.66 40.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.487 ' O ' HG12 ' E' ' 24' ' ' VAL . 91.0 t -87.42 -10.54 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.31 -90.08 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -157.58 54.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 110.579 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -75.64 171.74 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -168.91 89.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . 153.2 87.71 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.4 34.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.38 144.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.2 mp -144.44 142.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.238 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.69 144.85 13.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 144.54 30.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.642 0.258 . . . . 0.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.2 OUTLIER -138.94 122.03 16.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -120.46 150.96 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' E' ' 39' ' ' VAL . . . -158.09 118.34 0.83 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.22 33.57 1.31 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' E' ' 37' ' ' GLY . 11.0 p -150.85 143.11 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.536 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -129.67 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.99 144.3 31.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -145.26 142.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.718 0.294 . . . . 0.0 110.289 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.607 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -145.06 143.78 30.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.286 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.2 t80 -145.03 143.76 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -131.11 140.17 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.545 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.0 129.74 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -125.51 144.6 50.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.79 -73.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.34 -92.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -153.82 139.08 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.73 149.42 26.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -173.48 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 27.16 68.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.36 140.76 36.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.613 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 tt -145.96 145.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.305 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' F' ' 19' ' ' PHE . 2.0 pp -146.13 143.85 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.408 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.33 145.36 14.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.44 144.96 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptp -145.53 148.07 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.474 HG13 ' O ' ' F' ' 36' ' ' VAL . 14.5 p -110.43 128.74 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . -82.36 -84.06 0.82 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . 56.76 63.09 5.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.12 141.02 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.571 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.482 ' H ' ' HB3' ' H' ' 22' ' ' GLU . 49.4 mttp -130.28 139.54 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.871 ' N ' HD12 ' G' ' 17' ' ' LEU . 0.0 OUTLIER -143.24 143.35 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.078 179.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.04 144.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' G' ' 32' ' ' ILE . 25.5 p90 -146.22 144.83 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.71 145.29 30.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.9 148.65 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -125.99 139.63 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -93.22 128.57 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.9 -30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.5 -85.77 0.92 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 14.8 t -168.67 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 5.3 m-20 48.05 -163.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -162.36 -26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -164.52 129.78 2.05 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.25 143.55 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' G' ' 32' ' ' ILE . 6.4 tt -146.45 146.1 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' G' ' 19' ' ' PHE . 4.3 mp -144.36 142.59 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.42 144.9 13.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.809 HD23 ' C ' ' G' ' 34' ' ' LEU . 0.7 OUTLIER -145.32 143.53 30.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.242 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.9 ptp -146.04 136.49 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.405 ' H ' HG22 ' G' ' 36' ' ' VAL . 22.0 m -94.36 149.64 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.33 -36.12 9.06 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.8 26.02 69.63 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.416 HG22 ' N ' ' G' ' 40' ' ' VAL . 11.7 p -152.0 155.49 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.543 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.439 HG23 ' H ' ' G' ' 40' ' ' VAL . 4.6 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.509 ' NE2' ' OD1' ' G' ' 27' ' ' ASN . 7.7 tp-100 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -138.16 136.22 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.914 HD23 ' H ' ' H' ' 17' ' ' LEU . 1.4 pt? -144.02 143.95 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.201 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.51 143.61 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.32 . . . . 0.0 110.342 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -145.36 144.14 30.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.333 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -145.04 143.92 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.237 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.51 150.23 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.482 ' HB3' ' H ' ' G' ' 16' ' ' LYS . 28.5 tt0 -117.17 130.18 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.91 146.8 47.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.86 -54.05 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.8 106.86 3.08 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m 58.89 -142.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -160.23 54.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' G' ' 40' ' ' VAL . 47.0 pttt -169.78 130.69 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 144.05 -49.5 0.7 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.92 143.55 27.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.413 HG21 HD13 ' H' ' 31' ' ' ILE . 12.6 pt -146.33 145.74 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.59 143.29 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.52 145.18 13.81 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.605 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.34 143.87 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -142.48 137.38 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 110.521 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.6 t -110.54 140.38 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 77.21 26.01 62.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -79.66 -129.34 0.71 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.99 145.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.58 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -137.66 120.3 16.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 143.7 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.134 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.53 143.65 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.28 144.19 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -145.52 144.44 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.342 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 147.34 33.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -145.24 150.84 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -116.87 141.43 48.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.3 t -88.83 -47.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.12 -152.74 5.8 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 55.05 -154.38 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -90.69 -124.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -169.34 77.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.32 30.1 10.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 141.66 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.548 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' ILE . 16.6 tt -146.23 146.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HB3' ' B' ' 34' ' ' LEU . 4.4 mp -144.18 142.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.165 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.47 144.78 13.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.02 144.97 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.694 0.283 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -142.78 145.24 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.583 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.29 119.74 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.85 -67.2 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.22 -139.99 1.06 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.54 136.48 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.586 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -116.62 132.13 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.917 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.4 pt? -144.05 143.92 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.169 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.62 144.74 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -146.25 145.05 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 3.3 p90 -145.77 145.23 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.393 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.56 142.96 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -130.21 126.51 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' C' ' 15' ' ' GLN . 58.3 m-20 -95.51 126.73 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.31 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.06 -167.97 27.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.7 p -47.53 125.14 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -145.81 159.76 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.15 -168.66 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.19 118.92 5.64 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.27 144.96 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.588 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.407 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -145.86 144.87 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.37 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.2 mp -143.77 141.75 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.7 145.31 14.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -145.66 144.2 30.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.0 ptm -144.83 129.35 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 37' ' ' GLY . 12.6 p -90.96 157.9 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.484 ' N ' HG22 ' B' ' 36' ' ' VAL . . . 59.86 133.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.79 -117.71 0.54 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.4 160.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.59 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.585 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -105.93 117.97 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.91 HD23 ' H ' ' C' ' 17' ' ' LEU . 1.5 pt? -143.75 143.51 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.161 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -146.95 144.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.04 143.41 30.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.218 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.549 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 2.2 p90 -146.49 145.74 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.429 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.15 150.7 42.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -145.36 128.83 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASN . . . . . 0.422 ' ND2' ' OE1' ' D' ' 15' ' ' GLN . 1.9 m120 -125.85 129.61 49.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.435 ' H ' HG22 ' C' ' 24' ' ' VAL . 5.6 m -86.39 -33.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' C' ' 26' ' ' SER . . . 155.73 96.83 0.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 25' ' ' GLY . 6.4 m -166.97 -144.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -57.87 154.97 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' C' ' 30' ' ' ALA . 53.5 mtpt -112.47 -40.44 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . -53.24 85.38 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -142.27 145.34 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.44 ' C ' HD12 ' C' ' 32' ' ' ILE . 5.1 tt -145.82 145.61 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.5 mp -143.93 141.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.76 144.17 12.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.952 ' H ' HD12 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -145.24 143.71 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.5 ptm -145.71 142.04 28.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -128.29 146.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.27 29.81 9.25 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.22 -121.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.01 135.41 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.599 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.422 ' OE1' ' ND2' ' C' ' 23' ' ' ASN . 15.6 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -130.21 129.98 44.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.623 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.76 143.54 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -147.77 144.68 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 13.6 p90 -146.09 144.97 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.435 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.2 144.19 51.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -135.26 140.9 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' D' ' 27' ' ' ASN . 3.1 m-20 -112.89 146.97 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.35 -14.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.555 ' N ' HE22 ' C' ' 15' ' ' GLN . . . -105.61 -57.66 0.66 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -161.97 151.89 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.576 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.461 ' HA ' HD21 ' D' ' 23' ' ' ASN . 4.9 p-10 -87.66 142.24 27.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -147.19 172.95 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.41 117.49 7.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.7 144.68 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.452 ' C ' HD12 ' D' ' 32' ' ' ILE . 2.5 tt -146.0 145.54 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.437 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.8 mp -143.01 140.79 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.98 145.17 13.65 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.1 OUTLIER -145.95 144.77 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 128.63 17.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.442 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.19 142.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . 95.24 108.79 2.27 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.14 -130.93 1.16 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.05 141.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.519 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' F' ' 22' ' ' GLU . 19.1 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' F' ' 22' ' ' GLU . 30.7 mttm -135.12 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.93 144.03 31.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.08 144.28 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.45 144.65 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 33.4 p90 -145.16 143.91 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.234 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.72 152.61 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -144.94 127.27 15.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.7 136.07 53.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.19 -35.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.55 -89.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 31.5 t 54.79 -118.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.623 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.435 ' N ' ' OG ' ' E' ' 26' ' ' SER . 72.8 m-80 -151.47 -165.85 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -81.98 -149.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.35 56.21 24.79 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.01 124.71 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -146.28 146.12 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.46 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.546 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.7 OUTLIER -145.92 143.39 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.4 145.32 14.14 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.885 HD12 ' N ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -144.64 143.13 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 13.0 ptm -145.73 127.68 15.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 12.7 p -100.33 145.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.74 160.08 25.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.5 -108.54 0.27 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -146.36 137.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.541 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -124.54 117.11 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.537 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.99 143.82 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.156 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -147.49 144.64 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 6.9 p90 -145.45 144.67 30.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.381 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.1 t80 -144.48 143.35 30.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.205 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -121.38 158.77 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.548 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' E' ' 16' ' ' LYS . 27.5 tt0 -135.15 126.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.95 132.95 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -84.25 -13.13 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.53 -159.01 9.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -49.15 164.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.7 HD21 ' N ' ' G' ' 15' ' ' GLN . 0.8 OUTLIER -100.52 154.21 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -104.62 -9.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.19 67.45 0.13 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.9 135.76 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.555 ' C ' HD12 ' F' ' 32' ' ' ILE . 5.8 tt -145.52 145.31 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.314 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.555 HD12 ' C ' ' F' ' 31' ' ' ILE . 4.8 mp -143.31 140.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.77 145.55 14.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.546 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.82 146.04 30.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.682 0.277 . . . . 0.0 110.444 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptp -145.78 126.91 14.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.568 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.18 143.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' F' ' 38' ' ' GLY . . . 160.84 -84.13 0.12 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 55.03 163.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -151.62 134.43 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.558 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.7 ' N ' HD21 ' F' ' 27' ' ' ASN . 24.5 mm-40 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.474 ' CB ' ' NZ ' ' G' ' 16' ' ' LYS . 9.1 mtmp? -136.66 127.17 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.886 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -143.97 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.7 142.87 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.305 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -146.12 144.38 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.396 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.97 145.28 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.371 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 158.15 38.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -140.93 127.96 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' G' ' 24' ' ' VAL . 60.0 t-20 -103.49 144.42 31.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.49 HG13 ' N ' ' G' ' 25' ' ' GLY . 14.6 p -159.04 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.49 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -81.9 -143.98 4.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -79.69 -178.41 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 64.7 t-20 -158.87 142.2 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' G' ' 27' ' ' ASN . 8.5 ptmm? -157.72 52.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.477 ' O ' ' CA ' ' H' ' 37' ' ' GLY . . . 92.78 110.09 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.77 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -145.97 145.38 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.6 mp -143.44 141.39 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.087 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.583 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.12 145.26 13.8 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.768 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.7 OUTLIER -144.61 143.38 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.436 ' O ' ' O ' ' H' ' 31' ' ' ILE . 12.4 ptm -146.21 135.3 22.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' G' ' 17' ' ' LEU . 2.7 m -118.8 129.69 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.52 178.64 21.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.64 -62.35 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.0 136.8 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.518 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -131.43 129.56 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.18 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.185 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -147.14 144.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 25.2 p90 -144.44 143.29 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.304 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -145.35 143.9 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.273 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.37 152.79 42.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 110.552 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.73 134.09 55.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -126.0 146.37 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.32 -32.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.85 -84.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.516 ' O ' ' N ' ' H' ' 28' ' ' LYS . 6.4 t -171.24 64.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 49.94 -87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' H' ' 26' ' ' SER . 47.8 tttm -45.51 110.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.33 -35.41 0.6 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.82 135.67 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' G' ' 35' ' ' MET . 14.3 mt -146.34 145.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.94 143.46 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.257 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.46 145.65 14.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.883 HD23 ' H ' ' H' ' 34' ' ' LEU . 1.4 pt? -146.34 144.87 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.619 0.247 . . . . 0.0 110.452 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtp -142.56 131.15 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.64 157.76 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' G' ' 29' ' ' GLY . . . 66.14 2.61 14.3 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 55.63 -130.76 48.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 p -151.87 136.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.562 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -138.09 126.2 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 143.92 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.172 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -146.85 143.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.381 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -145.61 144.55 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.315 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -145.54 144.5 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.7 156.17 46.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.1 134.51 26.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -99.45 135.15 41.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 24' ' ' VAL . 15.5 m -83.69 5.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.45 -145.57 4.21 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.1 t -58.86 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.552 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LYS . 5.6 p-10 -161.23 -161.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 27' ' ' ASN . 13.3 ttpp 57.32 115.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.67 -50.82 0.82 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.76 132.87 42.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.47 146.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.416 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.49 142.99 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.157 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.87 15.18 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.08 143.4 30.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.34 130.31 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 0.0 110.537 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.59 ' N ' ' SD ' ' A' ' 35' ' ' MET . 74.4 t -105.19 144.72 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 60.1 49.39 79.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -58.06 143.38 43.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -86.37 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.618 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' C' ' 22' ' ' GLU . 60.9 mttm -137.9 119.23 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.629 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.46 144.47 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.172 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.36 144.49 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.6 p90 -146.08 144.79 30.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.307 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.5 p90 -145.65 145.11 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.3 151.92 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -141.93 127.17 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' B' ' 26' ' ' SER . 36.7 t30 -125.68 120.58 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.09 62.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.18 -167.23 34.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.551 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 60.6 p -54.74 168.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.349 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' B' ' 23' ' ' ASN . 31.3 t30 -146.67 126.7 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -74.33 -30.92 62.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . 153.45 129.53 1.38 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.89 139.9 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -146.22 145.98 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.444 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.608 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.7 mp -143.12 140.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.17 145.26 13.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 148.23 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.579 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ptp -128.22 129.7 46.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.95 140.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.67 156.44 26.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.68 153.87 13.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG22 ' H ' ' B' ' 39' ' ' VAL . 19.0 m -85.51 160.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.554 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.532 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.458 HE22 ' H ' ' D' ' 25' ' ' GLY . 75.6 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -138.09 116.24 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.89 144.41 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -145.71 143.01 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -144.82 142.87 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.258 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 1.6 p90 -146.25 145.3 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.335 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 139.64 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.502 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 16' ' ' LYS . 47.1 mt-10 -136.26 128.58 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -110.55 139.71 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.414 ' H ' HG22 ' C' ' 24' ' ' VAL . 5.9 m -79.17 9.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.02 -107.63 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 27' ' ' ASN . 49.3 m -140.87 -2.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' C' ' 26' ' ' SER . 2.6 m120 47.65 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -172.93 97.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.62 59.95 1.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.07 134.84 38.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' C' ' 32' ' ' ILE . 37.7 mt -145.31 144.9 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' D' ' 34' ' ' LEU . 4.1 mp -143.98 141.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.875 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.17 144.03 12.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.875 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.77 145.83 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.81 139.3 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.56 150.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 63.89 23.72 67.74 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.51 -93.92 1.64 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.506 HG12 ' N ' ' C' ' 40' ' ' VAL . 61.3 t -88.31 158.81 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.506 ' N ' HG12 ' C' ' 39' ' ' VAL . 15.8 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -108.51 125.52 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.618 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.9 143.49 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.14 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.449 ' HB ' ' CE2' ' C' ' 20' ' ' PHE . 89.4 t -149.44 145.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 27.7 p90 -148.26 148.13 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 20.9 p90 -145.41 144.95 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.293 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.61 155.75 33.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -145.22 133.8 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -100.56 127.67 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.04 -31.79 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.458 ' H ' HE22 ' C' ' 15' ' ' GLN . . . 165.55 35.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -158.88 -124.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.408 HD22 ' C ' ' D' ' 27' ' ' ASN . 0.2 OUTLIER 62.16 116.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -94.42 -46.92 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -152.69 143.67 10.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.62 145.67 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' D' ' 32' ' ' ILE . 4.0 tt -146.14 145.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.9 mp -143.84 141.61 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.086 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.9 145.38 14.12 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.547 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -145.73 144.47 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 110.358 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.454 ' CB ' HG22 ' E' ' 31' ' ' ILE . 0.7 OUTLIER -142.31 131.55 23.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 158.14 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.94 78.94 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 150.85 14.85 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.57 146.2 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.574 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' F' ' 22' ' ' GLU . 91.5 mttt -108.69 143.81 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 144.28 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.211 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -146.54 143.78 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' CE2' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.47 144.27 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.287 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 6.6 p90 -145.79 144.86 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.317 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.43 139.98 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -122.35 138.4 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -103.47 129.07 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 t -137.9 -44.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.09 -97.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.7 p -175.71 -66.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.339 . . . . 0.0 110.589 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.31 177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -161.23 112.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 87.86 48.07 4.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 141.29 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' D' ' 35' ' ' MET . 8.6 pt -146.46 146.07 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.384 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.573 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.1 pt -146.89 144.36 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.387 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.609 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.71 146.59 16.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.875 HD23 ' N ' ' E' ' 34' ' ' LEU . 0.3 OUTLIER -146.72 145.57 30.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 110.516 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.8 ptm -145.42 126.33 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.412 HG12 ' N ' ' E' ' 37' ' ' GLY . 82.6 t -114.19 153.56 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' F' ' 28' ' ' LYS . . . -156.1 28.27 0.58 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.68 -162.55 37.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.52 139.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.555 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.596 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.494 ' O ' ' ND2' ' G' ' 23' ' ' ASN . 40.7 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -105.97 127.3 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.633 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.03 143.98 31.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.135 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -146.96 144.15 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.555 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 12.4 p90 -145.52 144.33 30.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.93 144.06 30.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.5 158.79 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' E' ' 16' ' ' LYS . 1.1 tm-20 -128.32 126.58 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -116.01 146.28 42.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.414 HG13 ' N ' ' F' ' 25' ' ' GLY . 11.8 p -157.01 -35.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.414 ' N ' HG13 ' F' ' 24' ' ' VAL . . . -107.09 -109.3 3.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t 171.6 145.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -159.72 -57.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' E' ' 37' ' ' GLY . 10.9 tptp -160.89 -139.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' F' ' 28' ' ' LYS . . . -107.13 173.03 18.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 136.15 29.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 tt -146.25 146.31 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.755 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.3 mp -143.06 140.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.013 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.848 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -147.04 144.96 13.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.848 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -146.21 144.97 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.65 0.262 . . . . 0.0 110.413 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ptm -146.19 125.86 13.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' F' ' 37' ' ' GLY . 16.7 m -98.6 156.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 36' ' ' VAL . . . 56.12 111.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . -159.27 -108.34 0.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.11 151.39 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.552 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' H' ' 22' ' ' GLU . 42.3 mm-40 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -106.56 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' G' ' 17' ' ' LEU . 0.4 OUTLIER -143.68 143.93 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.171 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -146.69 143.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.14 144.49 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.1 p90 -145.89 145.21 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.327 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.42 158.25 34.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.74 128.06 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' F' ' 15' ' ' GLN . 14.0 m-80 -125.28 130.35 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.28 -19.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.07 14.44 52.07 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m 60.53 -174.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -176.58 167.8 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -79.19 -65.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.4 93.18 0.13 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.42 145.16 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.334 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -145.68 145.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.727 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.6 141.29 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.087 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.656 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.03 145.45 14.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.734 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.6 mp -144.78 143.41 30.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.496 ' O ' ' O ' ' H' ' 31' ' ' ILE . 11.3 ptm -145.85 131.12 18.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.83 153.32 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.16 36.6 89.34 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.41 176.1 42.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -106.67 148.51 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.576 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.429 ' O ' HG22 ' G' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -135.55 127.63 29.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.53 144.42 31.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.98 144.82 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 29.1 p90 -143.95 142.67 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -145.12 143.29 30.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 110.258 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.47 146.0 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' G' ' 15' ' ' GLN . 5.0 pt-20 -143.2 129.54 19.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -125.66 142.41 51.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -85.06 43.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.24 149.9 21.63 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -86.75 -58.55 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.625 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.92 149.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -64.91 -177.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.4 -25.43 1.38 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.88 133.97 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' G' ' 35' ' ' MET . 12.7 tt -146.55 145.9 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 pt -145.95 143.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -147.23 146.16 15.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.727 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.11 145.0 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.5 mtp -140.56 131.2 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.495 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' H' ' 38' ' ' GLY . 16.6 t -97.93 141.83 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 -41.52 0.76 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . 77.82 -158.66 46.92 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.413 ' H ' HG22 ' H' ' 39' ' ' VAL . 3.6 m -91.07 129.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.559 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 6.3 mp0 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -131.08 141.32 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.84 143.78 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.419 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.65 144.6 30.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -145.47 144.34 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.76 127.8 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.99 151.43 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -109.44 134.32 52.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 t -134.26 68.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.0 170.85 38.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -69.2 -56.3 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -62.77 165.91 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -154.27 142.58 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . 163.61 77.49 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.39 146.61 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 tp -146.27 145.48 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.401 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.64 143.53 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.222 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.83 15.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.12 143.64 30.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttm -140.89 134.3 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 110.588 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 37' ' ' GLY . 85.4 t -126.27 155.55 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.541 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 82.69 20.38 61.78 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -177.36 2.39 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 39' ' ' VAL . 29.6 m -86.95 145.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -105.72 118.65 37.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.643 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.24 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.179 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -147.7 144.73 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 7.2 p90 -146.5 145.12 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.319 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -146.46 146.31 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.47 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.54 135.24 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -124.08 135.48 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -100.78 144.61 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.62 -30.33 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.94 -44.83 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 p -163.99 -159.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -159.14 -165.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -171.99 84.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.19 117.02 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.21 133.89 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.535 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.498 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 pt -145.15 144.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.96 141.81 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.229 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 144.32 12.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.402 HD13 HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -147.5 146.86 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.504 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 15.4 ptm -144.42 141.71 29.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.611 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.89 117.6 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 140.07 7.11 1.0 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.06 -132.39 2.61 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.6 t -142.66 152.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.583 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.424 ' N ' HG13 ' D' ' 24' ' ' VAL . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' D' ' 22' ' ' GLU . 58.0 tttp -107.07 129.95 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.626 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 144.33 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.197 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -146.66 143.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.427 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' CE2' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 144.43 30.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.531 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 2.2 p90 -145.87 144.89 30.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.345 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.1 127.94 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -120.82 142.88 49.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -122.27 141.49 51.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -145.82 56.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.88 -77.1 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.9 t -156.33 149.78 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -171.38 37.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -65.83 163.86 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.25 23.84 19.59 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.69 139.63 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.437 ' C ' HD12 ' C' ' 32' ' ' ILE . 7.3 tt -145.58 145.21 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.64 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.9 mp -143.49 141.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.091 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.844 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.66 144.8 13.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.844 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.06 145.01 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.402 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ptp -145.08 138.06 26.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 36' ' ' VAL . 29.2 m -117.27 124.55 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 143.09 -38.88 1.37 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 44.63 -163.4 0.06 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -107.87 140.09 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.553 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -128.67 131.02 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.609 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.92 143.98 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.163 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 t -146.72 144.0 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.455 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 31.8 p90 -145.08 144.0 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 21' ' ' ALA . 15.0 t80 -144.87 143.5 30.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.237 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' D' ' 20' ' ' PHE . . . -125.35 150.45 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 16' ' ' LYS . 35.0 tt0 -144.46 129.49 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -93.77 143.5 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.424 HG13 ' N ' ' C' ' 15' ' ' GLN . 34.3 m -81.35 -31.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.77 -28.45 0.11 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -58.44 171.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' D' ' 27' ' ' ASN . 0.7 OUTLIER -127.97 104.25 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -142.83 168.2 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -92.25 148.73 19.3 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.26 145.21 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.512 ' C ' HD12 ' D' ' 32' ' ' ILE . 10.1 tt -146.2 145.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.605 ' O ' HD12 ' E' ' 34' ' ' LEU . 3.9 mp -143.93 141.56 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.079 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.552 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.25 145.11 13.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.64 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.74 146.14 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.477 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ptp -144.78 134.54 23.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 t -103.17 118.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.64 -154.46 22.81 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.07 6.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.03 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.571 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.593 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.533 ' N ' ' OE1' ' E' ' 15' ' ' GLN . 2.3 pm0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -106.08 137.05 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.512 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.678 ' CD1' ' HB2' ' F' ' 21' ' ' ALA . 11.6 tp -142.98 142.83 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.156 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.405 ' N ' ' HG ' ' E' ' 17' ' ' LEU . 12.3 p -145.51 142.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.84 144.81 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' E' ' 20' ' ' PHE . 20.9 p90 -145.65 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.274 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.9 140.14 53.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.59 136.2 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' E' ' 23' ' ' ASN . 1.5 m120 -119.41 137.19 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.99 51.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.14 -109.64 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -164.83 142.39 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 6.8 p-10 -154.28 -51.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt 44.85 74.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' F' ' 37' ' ' GLY . . . 149.11 62.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.83 40.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.3 145.31 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.352 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.65 144.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.83 145.93 15.29 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.721 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -145.45 144.39 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' E' ' 35' ' ' MET . 11.5 tmm? -143.64 144.35 31.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.54 154.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 78.91 64.38 1.95 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.483 ' O ' ' NZ ' ' F' ' 28' ' ' LYS . . . -71.84 -165.24 7.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.98 143.22 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.562 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -119.17 140.52 50.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.82 143.64 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.129 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.38 144.44 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.533 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 8.9 p90 -145.53 144.59 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.321 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.9 t80 -145.31 144.4 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.266 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.678 ' HB2' ' CD1' ' E' ' 17' ' ' LEU . . . -122.31 156.32 34.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -145.03 138.68 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -121.21 120.25 34.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.54 -29.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.38 -86.67 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -52.34 144.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -172.27 170.54 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' E' ' 38' ' ' GLY . 19.8 ttpp -172.15 -72.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -154.91 138.38 6.1 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.49 34.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.593 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.54 144.89 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.427 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.645 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.1 mp -143.62 141.44 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.442 ' C ' HD12 ' F' ' 34' ' ' LEU . . . -146.57 144.55 12.86 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.845 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -145.19 144.31 30.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -145.64 126.69 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.495 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.33 144.12 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' E' ' 29' ' ' GLY . . . -137.96 173.33 22.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' E' ' 27' ' ' ASN . . . -109.14 -51.5 0.67 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -86.07 142.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.507 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -138.16 130.35 28.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.36 144.67 31.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.284 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.78 143.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.297 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.557 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.75 144.06 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.4 p90 -145.85 145.16 30.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.335 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 157.99 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' G' ' 22' ' ' GLU . 9.0 mp0 -141.18 126.92 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -125.64 143.21 51.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.459 HG13 ' N ' ' G' ' 25' ' ' GLY . 7.3 p -125.94 -40.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.459 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -67.11 -118.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -164.66 63.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -46.48 146.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.439 ' CB ' ' NZ ' ' G' ' 28' ' ' LYS . 6.6 ttpm? -75.21 -39.92 59.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -166.34 126.99 1.53 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 145.18 33.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 11.4 tt -145.45 144.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.11 141.1 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.595 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -146.91 144.97 13.28 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.73 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.2 mp -145.53 144.5 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ptm -145.04 130.72 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.493 HG22 ' N ' ' G' ' 37' ' ' GLY . 4.0 p -94.85 158.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.493 ' N ' HG22 ' G' ' 36' ' ' VAL . . . -143.36 -85.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.04 -104.32 0.29 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 t -136.39 129.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.592 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -137.99 118.09 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.03 144.11 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -146.47 143.91 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -144.78 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -145.38 143.96 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.4 128.28 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -119.56 127.75 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -118.84 141.85 48.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 t -51.14 143.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 44.05 -133.87 6.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -52.81 166.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.48 108.69 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -161.16 -14.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.17 -22.67 60.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.31 141.38 28.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -146.96 146.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.874 ' H ' HD13 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.08 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.438 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.6 145.12 13.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.76 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.86 145.94 30.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.675 0.274 . . . . 0.0 110.458 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 62.4 mtt -139.17 139.51 37.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.58 132.78 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.524 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 124.36 -54.38 0.73 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.14 -161.89 40.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.43 150.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.307 . . . . 0.0 110.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.567 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.39 129.58 27.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.98 144.06 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.217 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.94 143.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.452 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -145.39 144.33 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.54 152.87 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.06 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -102.93 135.15 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 t -145.55 97.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.03 169.81 12.53 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 t -76.01 179.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 48.28 52.0 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -59.4 139.9 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . 178.85 85.99 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.92 145.7 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.556 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.81 145.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.89 143.63 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.259 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.79 146.05 15.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.25 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mtt -141.5 138.53 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 35.4 m -114.88 124.05 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 157.62 -77.61 0.19 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.31 1.85 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.01 159.73 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.571 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' C' ' 23' ' ' ASN . 10.6 mp0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -138.13 126.44 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.885 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.47 144.61 31.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.66 144.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.53 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 2.9 p90 -146.05 145.03 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.9 p90 -145.31 144.48 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.6 135.01 46.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -118.55 128.96 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -124.92 126.23 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 25' ' ' GLY . 22.6 m -81.6 -38.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 24' ' ' VAL . . . -159.91 -43.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -64.07 76.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' GLY . 47.5 t-20 -100.03 -68.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm 61.41 -72.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 27' ' ' ASN . . . -166.97 132.68 2.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.92 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.491 ' C ' HD12 ' B' ' 32' ' ' ILE . 9.1 tt -145.69 145.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.373 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.6 mp -144.36 142.32 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.284 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.55 12.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.592 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -148.17 148.33 30.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.605 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -140.66 139.06 34.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.13 133.61 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 104.95 69.34 0.76 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 -109.8 0.51 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -152.73 138.32 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.572 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -106.8 134.91 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' C' ' 34' ' ' LEU . 5.1 tt -143.87 144.04 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' B' ' 20' ' ' PHE . 78.0 t -144.84 142.73 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.364 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.9 t80 -142.52 140.43 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.932 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.51 143.01 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.228 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.85 158.05 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -142.8 129.32 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASN . . . . . 0.522 HD22 ' HB3' ' C' ' 28' ' ' LYS . 32.4 t-20 -125.8 123.27 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -89.08 -49.52 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.12 172.4 0.31 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -98.99 -6.55 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -157.02 121.24 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.522 ' HB3' HD22 ' C' ' 23' ' ' ASN . 40.2 tttm -161.29 95.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.58 103.23 0.21 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.1 142.76 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.15 146.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.592 HD11 HD11 ' B' ' 34' ' ' LEU . 17.7 pt -146.07 144.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.394 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.668 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.56 145.01 13.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.69 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -145.99 145.2 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.635 0.255 . . . . 0.0 110.471 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttp -136.96 144.4 43.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.78 117.7 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 124.5 45.68 0.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.28 149.43 43.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 t -86.22 142.91 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.613 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.52 ' CD ' HD21 ' E' ' 23' ' ' ASN . 34.6 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -105.76 121.96 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.507 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.34 144.5 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.25 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -146.98 144.33 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 1.6 p90 -146.4 145.17 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.473 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -145.57 144.83 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.329 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.83 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -145.33 126.97 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' D' ' 23' ' ' ASN . 1.6 m120 -125.37 142.12 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.41 -20.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.3 -68.49 1.42 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -170.11 133.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.537 ' O ' ' ND2' ' D' ' 27' ' ' ASN . 2.3 p-10 -147.54 118.94 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -80.49 -34.58 35.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -176.5 142.98 6.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.31 40.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.97 145.4 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.4 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.69 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.1 mp -143.41 141.4 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.056 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.8 145.03 13.42 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.75 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.628 0.251 . . . . 0.0 110.401 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ptp -143.43 132.98 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 36' ' ' VAL . 6.2 m -133.16 133.01 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.78 113.41 0.57 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.25 146.36 7.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.18 160.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.574 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' D' ' 27' ' ' ASN . 28.1 mt-30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -110.76 133.96 52.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.545 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -143.89 144.29 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 179.671 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.9 143.89 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.735 0.302 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.563 ' C ' ' CD1' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.65 144.79 30.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.372 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 3.6 p90 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.308 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.68 150.89 48.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.15 145.35 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASN . . . . . 0.52 HD21 ' CD ' ' D' ' 15' ' ' GLN . 50.4 t-20 -99.05 141.29 31.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.69 32.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -178.93 -103.31 0.17 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -151.19 82.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.517 ' OD1' ' NE2' ' D' ' 15' ' ' GLN . 6.6 p-10 -66.65 156.62 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -172.76 139.17 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.37 27.62 53.69 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.85 141.04 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -145.3 144.8 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.344 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.7 pt -146.3 143.5 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.4 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.22 146.35 16.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.666 ' HB3' HG23 ' F' ' 32' ' ' ILE . 0.2 OUTLIER -146.89 145.79 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.408 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -144.38 145.1 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.84 153.73 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.23 -106.48 0.19 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.43 103.38 1.21 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.57 148.62 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.58 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -105.9 125.88 51.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.95 143.77 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.205 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -146.74 144.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' F' ' 19' ' ' PHE . 10.9 p90 -145.18 144.07 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.316 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 20.9 t80 -144.78 143.57 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.536 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -125.41 155.65 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -142.86 132.06 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.69 129.23 49.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.576 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -52.67 -54.51 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 53.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 84.2 p -147.19 -75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.595 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.517 ' N ' ' OG ' ' F' ' 26' ' ' SER . 19.3 p-10 -67.03 138.7 57.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -137.91 121.43 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.96 91.02 0.14 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.96 145.85 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -146.02 145.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.5 mp -143.74 141.52 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.97 13.24 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.561 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.04 146.17 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.704 0.287 . . . . 0.0 110.446 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.05 127.84 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.504 ' O ' HG23 ' F' ' 36' ' ' VAL . 5.2 m -130.84 127.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.3 109.26 0.53 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.45 29.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 29.8 m -113.87 156.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.577 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -105.92 134.48 48.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.15 144.29 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.249 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.12 143.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.373 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.61 143.92 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.302 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' G' ' 20' ' ' PHE . 4.8 p90 -145.73 144.89 30.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.98 149.2 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -143.41 131.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -103.83 140.58 37.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.18 28.78 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.46 -98.69 0.11 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 55.0 p -161.42 -176.74 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.87 -155.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -154.62 75.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 116.33 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.54 145.13 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.622 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.49 144.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.9 mp -143.59 141.57 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.477 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.02 145.19 13.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.808 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -144.86 143.55 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.634 ' N ' ' SD ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -146.15 138.34 25.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.619 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.44 144.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' H' ' 29' ' ' GLY . . . 76.64 89.16 0.28 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . -106.73 -141.75 10.37 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.65 136.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.575 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' H' ' 16' ' ' LYS . 9.2 mtmp? -130.54 118.56 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.41 144.4 31.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.195 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.54 144.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 0.0 110.424 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' H' ' 19' ' ' PHE . 25.6 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.275 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.21 143.81 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.282 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.93 158.16 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -143.53 137.87 28.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -119.82 135.92 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -168.22 145.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.26 -57.18 4.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 20.6 p -175.32 113.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -139.72 112.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -67.57 -26.94 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' G' ' 38' ' ' GLY . . . 162.01 148.63 5.39 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.05 139.54 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 tt -146.87 146.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.442 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.888 ' H ' HD13 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.53 144.39 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.44 145.35 14.18 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.726 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -145.97 144.61 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.655 0.264 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 47.4 mtm -144.53 127.78 16.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' H' ' 38' ' ' GLY . 31.0 m -111.32 150.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.68 1.22 3.35 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . -51.11 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.06 130.74 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.575 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -134.79 139.78 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.9 143.83 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.161 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -146.73 144.08 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 34' ' ' LEU . 42.9 p90 -144.59 143.41 30.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -145.05 143.54 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.231 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 157.33 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -120.72 134.78 55.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -107.41 140.19 40.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG13 ' N ' ' A' ' 25' ' ' GLY . 9.1 p -84.54 -46.15 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.579 ' N ' HG13 ' A' ' 24' ' ' VAL . . . -112.18 -18.8 7.5 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.8 p 50.92 79.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -154.75 70.32 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt 48.91 43.39 21.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.598 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.71 -48.5 0.96 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.6 136.35 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mt -146.44 145.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.875 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -146.48 144.1 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.429 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 145.73 14.92 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.682 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -146.39 145.01 30.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ttt -139.1 131.32 28.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -112.98 141.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.21 47.47 17.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.86 -152.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.7 151.77 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.536 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -105.83 131.03 53.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.887 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.15 144.33 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.265 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.33 143.74 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.392 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -145.6 143.86 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.277 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 2.4 p90 -145.83 145.12 30.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.06 147.62 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.13 128.57 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.28 143.02 50.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.42 23.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 26' ' ' SER . . . 164.48 174.24 34.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 25' ' ' GLY . 7.3 m 59.87 147.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -153.28 28.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.33 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 124.81 0.97 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.8 142.59 33.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -145.86 145.56 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mp -143.87 141.61 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.089 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.574 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -146.81 145.04 13.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.757 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.7 OUTLIER -144.77 143.6 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.9 ptm -145.27 134.83 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 17' ' ' LEU . 2.7 p -125.35 131.55 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . 149.73 -99.63 0.2 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 37' ' ' GLY . . . 60.4 135.18 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.548 HG22 ' N ' ' B' ' 40' ' ' VAL . 7.3 p -144.61 160.16 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.346 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.548 ' N ' HG22 ' B' ' 39' ' ' VAL . 17.3 m . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -112.41 123.68 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.545 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -143.71 143.55 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.09 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -147.18 144.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 9.9 p90 -145.52 144.45 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 21' ' ' ALA . 9.9 t80 -144.88 143.86 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.234 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' C' ' 20' ' ' PHE . . . -123.17 158.2 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.547 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' D' ' 15' ' ' GLN . 41.6 tt0 -135.23 142.42 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -125.63 120.15 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -117.44 16.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.14 -131.91 2.04 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -99.66 127.86 45.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.593 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -58.22 -179.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -157.42 -56.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 162.74 78.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.72 137.01 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.522 ' C ' HD12 ' C' ' 32' ' ' ILE . 8.2 tt -146.1 145.82 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.522 HD12 ' C ' ' C' ' 31' ' ' ILE . 4.9 mp -143.23 140.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' D' ' 33' ' ' GLY . . . -147.69 145.41 14.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.543 ' CB ' HG22 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.93 146.22 30.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.461 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.3 ptm -145.73 129.98 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -125.1 158.68 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.29 120.28 1.18 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.82 -113.34 0.45 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -153.44 146.03 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.533 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' C' ' 22' ' ' GLU . 74.1 mt-30 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' C' ' 22' ' ' GLU . 39.9 tttp -110.51 135.95 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.98 144.27 31.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.78 144.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.25 143.97 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -145.67 144.79 30.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.322 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.47 144.43 51.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -139.43 128.31 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.58 144.51 43.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.482 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.11 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.75 69.33 0.05 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -177.09 57.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -85.51 140.02 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -159.48 103.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.93 85.18 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.39 139.67 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.67 146.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.543 HG22 ' CB ' ' C' ' 34' ' ' LEU . 0.9 OUTLIER -145.85 143.52 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.292 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' C' ' 33' ' ' GLY . . . -146.32 145.36 14.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.864 ' N ' HD12 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -144.3 142.85 30.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.8 ptm -145.69 135.61 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.72 153.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 29' ' ' GLY . . . 83.53 -61.92 4.69 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.18 -158.22 26.43 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.89 154.38 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.456 ' H ' HG22 ' D' ' 40' ' ' VAL . 1.1 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -132.39 134.82 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.518 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.621 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -144.05 143.97 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.189 179.676 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -146.7 143.94 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.549 ' HZ ' HD13 ' D' ' 34' ' ' LEU . 14.4 p90 -145.26 143.92 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' E' ' 20' ' ' PHE . 11.2 p90 -145.51 144.69 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.349 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.84 152.62 29.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -145.16 132.89 21.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASN . . . . . 0.601 HD22 ' CA ' ' E' ' 26' ' ' SER . 42.6 t30 -98.67 146.06 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 m -123.38 18.7 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.19 -57.79 0.12 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.601 ' CA ' HD22 ' E' ' 23' ' ' ASN . 6.3 t -167.44 122.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 13.7 p-10 -86.53 172.52 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' F' ' 38' ' ' GLY . 63.4 mttm -143.24 68.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.53 130.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG23 ' F' ' 36' ' ' VAL . . . -142.37 145.38 33.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 tt -145.99 145.53 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.4 mp -144.12 141.93 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.135 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.854 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.53 144.68 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.854 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.59 145.63 30.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.9 ptp -144.88 123.92 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.548 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -110.8 130.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' F' ' 29' ' ' GLY . . . -132.27 158.07 22.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.08 151.07 5.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.473 ' O ' HG13 ' E' ' 39' ' ' VAL . 8.3 p -145.61 129.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.582 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.538 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -135.01 144.26 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -143.24 143.07 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.128 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.75 142.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.307 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.16 144.94 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' F' ' 20' ' ' PHE . 1.1 p90 -145.6 144.69 30.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.53 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.516 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -140.53 149.01 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -98.58 146.58 25.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.451 ' O ' HG22 ' F' ' 24' ' ' VAL . 13.9 p -133.71 -9.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.9 -111.7 0.61 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t 174.94 77.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -92.01 -152.5 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -168.99 135.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 89.97 68.46 1.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 140.33 34.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 tt -146.46 146.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.406 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.582 HG22 ' CB ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -146.28 143.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.96 146.27 15.96 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -146.09 144.7 30.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 110.327 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.69 139.5 28.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.462 HG22 ' N ' ' F' ' 37' ' ' GLY . 5.3 p -123.65 155.79 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.563 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.462 ' N ' HG22 ' F' ' 36' ' ' VAL . . . 80.41 62.76 2.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' E' ' 28' ' ' LYS . . . -83.93 -122.98 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 t -112.26 147.13 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.557 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -105.77 135.08 47.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.879 HD23 ' N ' ' G' ' 17' ' ' LEU . 1.3 pt? -144.21 144.29 31.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.17 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.18 144.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.46 144.76 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.326 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.79 145.45 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.338 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.53 158.4 29.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' H' ' 16' ' ' LYS . 51.1 mt-10 -139.19 142.12 37.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -125.12 140.39 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.406 ' O ' HG22 ' G' ' 24' ' ' VAL . 7.6 p -155.68 -16.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.551 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.88 -112.36 0.79 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -161.23 97.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.85 -178.04 5.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -164.06 93.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . 135.79 98.1 0.54 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.05 131.15 28.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.526 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.5 tt -146.39 145.87 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.694 HG21 ' CZ ' ' G' ' 19' ' ' PHE . 4.9 mp -144.05 142.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.291 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.33 143.9 12.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.09 146.64 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.7 ptp -142.36 145.53 34.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.409 HG23 ' O ' ' G' ' 36' ' ' VAL . 16.0 m -123.16 133.46 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.09 -15.37 54.17 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -132.63 11.0 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -106.97 142.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.526 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.419 ' H ' HG22 ' G' ' 40' ' ' VAL . 10.5 m . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' G' ' 22' ' ' GLU . 16.2 mtmm -129.45 133.55 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.67 31.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -147.4 144.44 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.487 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -145.31 144.57 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.343 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -145.54 144.07 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.231 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -137.05 130.71 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -121.97 136.64 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -96.01 -16.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.54 -110.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -153.42 -106.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -72.94 -119.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -59.86 169.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.76 -61.5 0.38 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.32 145.64 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -146.1 145.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.42 143.25 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.227 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.86 145.75 14.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.3 OUTLIER -145.13 143.63 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mmt -142.81 130.06 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.511 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.467 HG12 ' N ' ' H' ' 37' ' ' GLY . 32.7 t -106.77 158.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 49.88 24.04 5.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.81 -104.11 0.55 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 t -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.565 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 22' ' ' GLU . 11.4 ttmm -138.75 118.55 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.23 144.33 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.226 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -146.44 143.99 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.39 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -144.85 143.42 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.55 144.01 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.266 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.89 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.633 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -120.45 141.4 50.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 135.89 36.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -147.19 146.88 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.454 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 32' ' ' ILE . 9.2 pt -146.18 143.85 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.22 146.02 15.38 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.841 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.7 pt? -146.71 145.64 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 0.0 110.465 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 ttt -142.3 123.53 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 37' ' ' GLY . 7.4 p -108.26 158.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 36' ' ' VAL . . . 46.79 48.78 17.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.84 -126.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.59 144.89 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.518 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' B' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.28 138.11 46.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 144.31 31.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.196 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.74 144.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.672 ' CE2' ' CE1' ' C' ' 19' ' ' PHE . 1.2 p90 -146.46 144.94 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.354 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -145.61 144.77 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.32 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.8 136.09 50.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.486 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' LYS . 28.5 mt-10 -136.1 127.46 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -111.11 139.39 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -128.96 21.86 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.33 157.46 27.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -79.47 72.92 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.605 HD22 ' N ' ' B' ' 27' ' ' ASN . 0.0 OUTLIER -80.06 171.64 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -82.68 -160.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.64 136.3 7.77 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.33 130.08 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.651 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.2 pp -146.0 145.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.369 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.48 143.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.285 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.71 146.44 16.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -145.95 144.57 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.658 0.266 . . . . 0.0 110.323 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.3 ptp -145.43 131.94 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.494 HG22 ' N ' ' B' ' 37' ' ' GLY . 5.8 p -114.57 157.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' D' ' 22' ' ' GLU . 30.4 tttp -128.1 116.88 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.642 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.27 144.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -145.96 143.04 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.324 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.754 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -144.92 143.76 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.275 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD2' HG23 ' D' ' 18' ' ' VAL . 0.1 OUTLIER -145.64 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.31 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 156.1 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -143.03 128.26 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . 0.421 HD22 ' N ' ' D' ' 15' ' ' GLN . 6.7 t-20 -125.02 126.62 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.65 -58.45 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.17 0.17 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -156.98 127.68 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -84.75 125.43 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.58 -58.6 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.57 107.3 0.31 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.3 137.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -145.75 145.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' D' ' 34' ' ' LEU . 32.9 mt -143.63 141.11 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.99 145.1 13.51 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -146.4 145.4 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.685 0.279 . . . . 0.0 110.427 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -144.38 137.99 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.92 150.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.421 ' N ' HD22 ' C' ' 23' ' ' ASN . 35.1 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.483 ' NZ ' ' CB ' ' D' ' 16' ' ' LYS . 8.2 mtpm? -117.31 128.97 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.42 HD11 HD11 ' C' ' 32' ' ' ILE . 4.9 tt -143.89 144.39 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.481 HG23 ' CD2' ' C' ' 20' ' ' PHE . 2.8 m -145.68 142.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.319 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 3.8 t80 -144.84 143.26 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.701 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 20.4 m-85 -144.56 143.43 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.251 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.85 151.35 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 16' ' ' LYS . 36.8 mt-10 -145.68 127.05 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.54 145.73 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.97 61.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.48 -95.17 0.14 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -160.44 145.63 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' D' ' 28' ' ' LYS . 6.6 t-20 -123.28 -169.87 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' D' ' 27' ' ' ASN . 32.7 ttpt -163.52 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -156.56 102.54 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.94 145.53 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -145.65 145.1 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.6 mp -143.85 141.77 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.123 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.2 144.59 13.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.633 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -144.69 143.4 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptm -144.53 138.39 27.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.2 t -108.69 149.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.77 116.68 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.94 144.24 31.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.177 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.84 143.71 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' F' ' 19' ' ' PHE . 21.1 p90 -147.27 146.03 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.526 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -146.05 145.5 30.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.348 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.24 51.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -131.67 126.78 35.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -110.36 138.22 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -74.44 -63.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.48 -109.4 3.36 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -115.0 -168.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -168.13 170.7 10.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -81.64 -54.61 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.99 113.36 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.33 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.78 145.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.413 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.719 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.7 mp -143.6 141.46 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.062 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 145.13 13.59 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.02 144.73 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ptm -144.82 124.92 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.4 147.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -105.65 140.04 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.909 ' N ' HD23 ' F' ' 17' ' ' LEU . 0.8 OUTLIER -144.02 144.05 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.192 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -145.23 143.21 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.637 ' CE2' ' CD2' ' E' ' 19' ' ' PHE . 2.0 t80 -142.46 140.3 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.5 t80 -144.42 143.07 30.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.268 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.573 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -136.42 150.31 48.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -133.08 142.1 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . 0.688 ' ND2' HD22 ' F' ' 27' ' ' ASN . 28.5 m120 -123.01 139.81 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.447 HG23 ' N ' ' F' ' 25' ' ' GLY . 35.1 m -67.14 -39.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.447 ' N ' HG23 ' F' ' 24' ' ' VAL . . . -169.22 -97.1 0.11 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -79.27 151.81 30.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.688 HD22 ' ND2' ' F' ' 23' ' ' ASN . 64.5 t-20 -163.5 144.08 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' F' ' 27' ' ' ASN . 12.6 ptpt -167.17 129.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.49 1.68 53.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 128.04 42.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 tt -146.39 145.84 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.461 HD12 ' CE1' ' F' ' 19' ' ' PHE . 9.2 pt -146.54 144.2 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 146.09 15.54 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.719 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -145.8 144.75 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.8 OUTLIER -140.97 137.12 32.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.523 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.416 HG12 ' O ' ' G' ' 30' ' ' ALA . 3.7 p -106.65 147.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -109.58 132.32 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.592 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.4 HD11 HD13 ' G' ' 34' ' ' LEU . 2.2 pp -143.95 143.96 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.6 143.68 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' G' ' 32' ' ' ILE . 42.2 p90 -147.08 145.21 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.7 p90 -145.89 145.67 30.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.319 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.09 157.83 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -144.78 127.11 15.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -107.13 140.25 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.47 -19.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.32 -77.44 0.19 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.9 p -56.83 115.17 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.48 152.36 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.09 -61.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -174.43 114.29 0.5 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.416 ' O ' HG12 ' F' ' 36' ' ' VAL . . . -95.75 142.19 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.431 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.1 pt -145.24 145.07 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.345 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.751 HG21 ' CE2' ' G' ' 19' ' ' PHE . 4.6 mp -144.26 141.95 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.32 145.13 13.48 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.4 HD13 HD11 ' G' ' 17' ' ' LEU . 1.3 pp -147.51 146.82 29.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.72 137.13 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 m -109.94 147.72 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -137.99 133.16 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.21 144.03 31.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.199 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t -147.73 144.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -144.84 144.0 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.238 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -145.79 144.31 30.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.295 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.41 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -144.92 130.52 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -121.2 132.1 54.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' G' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.67 145.28 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.53 146.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.6 143.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 145.36 14.18 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.39 143.75 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 32.2 ttm -144.26 134.53 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.52 141.68 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.74 91.28 0.25 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.54 126.51 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.65 143.63 31.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.132 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -146.86 143.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -145.72 144.65 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -145.27 144.35 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 153.22 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -139.4 145.36 38.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -146.95 146.7 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.451 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -145.63 143.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.273 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.8 15.0 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.02 143.4 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 mtt -145.11 137.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.04 136.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 49.39 79.02 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -68.4 -142.67 0.1 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.81 157.65 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.578 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 128.16 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.649 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.14 144.26 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.223 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.84 143.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 15.6 p90 -146.07 144.85 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.334 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -145.33 144.54 30.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.298 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.28 157.38 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.341 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -134.95 144.01 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -93.43 136.72 33.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 68.1 t -149.11 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.18 -105.0 0.85 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -170.33 82.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.702 HD22 ' N ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -76.3 -162.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.702 ' N ' HD22 ' B' ' 27' ' ' ASN . 13.7 ptmt -142.07 -8.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 159.68 104.67 0.2 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.66 144.0 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.544 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.9 tt -146.16 145.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.733 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.9 mp -144.3 142.18 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.251 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.37 144.88 13.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.632 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -147.85 147.5 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.595 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.19 139.14 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.495 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.37 138.28 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -119.41 141.74 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.75 144.0 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.216 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -145.0 142.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' C' ' 32' ' ' ILE . 1.2 t80 -142.19 140.07 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' C' ' 21' ' ' ALA . 6.2 t80 -144.8 143.44 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.264 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.563 ' N ' ' CD1' ' C' ' 20' ' ' PHE . . . -138.27 153.2 49.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -139.22 128.47 24.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -93.77 121.75 35.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.01 -30.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.93 78.79 1.32 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.9 m -161.08 -109.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -79.77 -162.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -155.79 137.77 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.95 60.77 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.11 140.81 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.404 HD13 HG21 ' C' ' 31' ' ' ILE . 6.9 pt -145.48 144.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.632 HD11 HD11 ' B' ' 34' ' ' LEU . 23.5 pt -146.0 143.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.432 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.66 14.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.764 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.45 145.54 30.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.36 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -145.37 151.22 37.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -90.89 117.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -107.72 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.25 144.41 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.64 144.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 4.7 p90 -145.81 144.35 30.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -145.92 145.19 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.401 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.88 146.64 46.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.547 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -135.01 127.19 29.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -105.87 140.19 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.53 -31.52 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.83 38.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 p -177.84 139.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -176.77 110.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -58.53 -23.95 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . 159.08 152.87 6.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' C' ' 37' ' ' GLY . . . -142.74 145.9 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.15 143.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.298 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.9 mp -143.14 141.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.586 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.15 145.17 13.61 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.693 HD12 HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.85 145.19 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 110.341 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -136.66 122.68 20.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.493 HG12 ' N ' ' D' ' 37' ' ' GLY . 99.4 t -100.38 158.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.493 ' N ' HG12 ' D' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -130.44 141.37 50.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.516 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -143.89 144.38 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.206 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -145.73 142.86 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 110.347 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -144.82 143.52 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.327 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' E' ' 21' ' ' ALA . 6.9 t80 -144.89 143.54 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.219 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CE1' ' E' ' 20' ' ' PHE . . . -130.65 146.63 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.57 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -142.46 131.84 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.71 136.94 55.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -77.81 -17.33 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.57 -173.61 25.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 128.08 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.44 HD22 ' N ' ' E' ' 29' ' ' GLY . 4.4 t30 -89.75 158.13 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -71.49 -58.19 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.44 ' N ' HD22 ' E' ' 27' ' ' ASN . . . -162.53 72.9 0.2 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 140.15 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -146.13 145.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.855 HD13 ' H ' ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.44 145.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.511 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.887 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.69 145.74 14.93 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.887 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.81 145.73 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 110.441 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -144.27 144.78 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.47 117.82 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.599 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -105.8 119.28 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.639 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.01 144.33 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.193 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.19 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.491 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 17.2 p90 -146.09 144.92 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' F' ' 20' ' ' PHE . 29.1 p90 -145.64 145.05 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.413 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.19 42.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -136.89 126.88 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -93.57 146.26 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -143.89 37.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.13 151.15 25.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 71.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -128.33 174.78 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -144.98 -147.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -79.36 149.86 32.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.22 37.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.601 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.99 144.96 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.678 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.4 mp -143.72 141.5 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 145.95 15.19 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.03 144.61 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 110.321 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.477 ' CB ' HG22 ' G' ' 31' ' ' ILE . 7.5 ptp -144.75 128.47 17.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -98.51 148.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' G' ' 15' ' ' GLN . 1.9 mp0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -105.98 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.92 144.15 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.213 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.66 143.99 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -144.83 143.59 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.299 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' G' ' 21' ' ' ALA . 10.0 t80 -145.09 143.56 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.213 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' G' ' 20' ' ' PHE . . . -125.38 142.66 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.566 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' H' ' 16' ' ' LYS . 25.2 tt0 -130.14 127.25 39.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . 0.466 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 6.1 m-80 -120.79 126.14 49.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.98 -54.1 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 66.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -161.16 167.52 26.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 56.01 171.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -152.54 154.06 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . 75.77 94.44 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.44 138.23 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' F' ' 35' ' ' MET . 5.9 pt -145.03 144.77 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.349 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.0 mp -143.55 141.13 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -146.59 144.75 13.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.681 ' H ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -145.88 144.9 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 0.0 110.427 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.5 tmt? -144.36 126.5 15.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -122.14 117.83 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.466 ' NE2' ' OD1' ' G' ' 23' ' ' ASN . 67.9 mt-30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' G' ' 22' ' ' GLU . 2.8 tptp -138.03 126.04 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.4 31.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.175 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -146.43 144.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 30.5 p90 -144.64 143.09 30.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.336 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -145.34 143.94 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.247 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.33 140.04 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -141.22 133.3 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' H' ' 24' ' ' VAL . 41.2 t-20 -106.75 145.62 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' H' ' 23' ' ' ASN . 11.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.03 131.87 41.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 17.6 pt -146.29 145.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' G' ' 34' ' ' LEU . 9.9 pt -145.96 143.51 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.71 145.82 15.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.706 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.4 OUTLIER -145.23 143.72 30.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.347 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 12.4 tpt -144.77 124.77 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.558 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 m -113.33 152.4 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.37 33.53 68.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 3.5 mp0 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -120.54 115.46 23.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.16 144.25 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.262 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -146.81 143.83 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.397 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -145.11 144.27 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -145.14 143.68 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.255 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.19 158.21 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -129.87 130.77 45.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 58.0 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -95.83 145.56 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 110.553 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 tt -146.88 146.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.414 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.88 143.95 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.27 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.85 145.7 14.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.3 143.92 30.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 tpt -143.83 136.11 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.7 m -131.28 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.06 -9.66 70.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.4 129.37 10.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -85.97 141.07 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.588 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.467 ' OE1' ' ND2' ' C' ' 23' ' ' ASN . 81.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -138.43 122.48 17.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 144.38 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.216 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.22 144.4 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.6 OUTLIER -146.78 145.39 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.424 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.511 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 1.2 p90 -145.39 144.79 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.379 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 128.73 44.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -119.21 128.77 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' B' ' 23' ' ' ASN . 1.5 m-20 -95.92 138.15 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.47 -31.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.55 -91.62 2.04 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -152.84 175.77 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -152.06 176.2 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -153.16 -27.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.09 120.17 0.83 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.08 144.2 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.482 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.2 tt -146.2 145.5 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.8 mp -143.98 142.13 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.198 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.83 12.05 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' C' ' 19' ' ' PHE . 0.7 OUTLIER -147.69 146.84 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.504 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.66 144.82 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 30' ' ' ALA . 4.2 p -142.45 140.53 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 18.2 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -105.5 132.99 50.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.904 ' H ' HD23 ' C' ' 17' ' ' LEU . 1.5 pt? -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.226 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -146.08 143.49 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.392 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.11 143.52 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.293 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.6 p90 -145.85 144.96 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.24 141.49 52.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.05 134.18 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . 0.467 ' ND2' ' OE1' ' B' ' 15' ' ' GLN . 33.4 t30 -105.54 128.44 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.27 -77.21 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.661 ' H ' ' NE2' ' D' ' 15' ' ' GLN . . . -79.52 -87.83 0.52 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -169.48 122.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -80.94 -179.79 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -158.63 44.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 90.51 1.26 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.02 145.22 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -145.07 144.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.4 mp -143.63 141.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.31 144.55 12.93 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.41 145.19 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptp -144.94 140.3 28.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -102.87 143.6 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.661 ' NE2' ' H ' ' C' ' 25' ' ' GLY . 73.0 mt-30 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.473 ' HZ3' ' HB3' ' D' ' 16' ' ' LYS . 4.8 ttpm? -135.37 136.22 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.472 ' H ' HD12 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -143.86 143.45 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.12 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -147.72 144.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 25.0 p90 -145.97 145.04 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.2 p90 -145.5 144.8 30.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.279 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.56 158.53 31.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -141.11 126.92 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -104.63 141.35 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.411 HG22 ' O ' ' D' ' 24' ' ' VAL . 14.7 p -139.98 -13.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.88 -93.28 0.67 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.8 m -91.58 179.99 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' D' ' 29' ' ' GLY . 55.8 m-20 -136.25 -46.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttm 54.05 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' D' ' 27' ' ' ASN . . . 177.21 102.17 0.15 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.86 143.74 27.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.416 ' C ' HD12 ' D' ' 32' ' ' ILE . 8.2 tt -145.83 145.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.7 mp -143.58 141.25 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.61 14.53 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.934 ' O ' HD12 ' D' ' 34' ' ' LEU . 0.9 OUTLIER -146.23 145.19 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' D' ' 35' ' ' MET . 12.9 tmm? -144.2 132.78 22.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.42 156.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' F' ' 22' ' ' GLU . 52.5 tttm -132.91 143.07 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' F' ' 21' ' ' ALA . 5.2 tt -143.74 144.14 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.188 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.63 143.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.365 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.36 144.62 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.316 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 2.4 p90 -145.53 144.22 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.342 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.56 142.23 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -129.37 126.7 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' D' ' 15' ' ' GLN . 1.7 m-20 -100.0 123.2 43.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.607 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.421 HG22 ' H ' ' E' ' 24' ' ' VAL . 6.2 m -95.99 137.22 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.76 -115.11 3.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -95.73 177.85 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.674 ' ND2' ' H ' ' E' ' 28' ' ' LYS . 2.9 t30 -163.41 174.22 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.674 ' H ' ' ND2' ' E' ' 27' ' ' ASN . 32.3 mttp -132.13 -132.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . -91.16 123.09 6.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 145.28 34.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.444 ' C ' HD12 ' E' ' 32' ' ' ILE . 8.4 tt -145.43 144.38 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.3 mp -144.38 142.16 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 144.73 13.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.759 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -145.17 144.03 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -144.49 136.87 26.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -111.0 123.25 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -106.14 130.22 54.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.96 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.12 144.42 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' G' ' 34' ' ' LEU . 9.4 p90 -145.72 144.52 30.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.334 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.06 144.3 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' E' ' 17' ' ' LEU . . . -117.48 158.89 23.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' E' ' 16' ' ' LYS . 13.3 tt0 -135.5 144.75 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -125.91 145.88 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.8 2.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.14 -97.85 0.13 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -145.54 174.87 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.432 HD21 ' HA3' ' G' ' 37' ' ' GLY . 12.9 p-10 -166.86 158.83 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -75.85 -50.63 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 176.31 133.72 1.83 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.0 141.92 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.441 ' C ' HD12 ' F' ' 32' ' ' ILE . 9.0 tt -145.87 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' E' ' 34' ' ' LEU . 4.5 mp -143.23 141.07 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.066 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.43 144.62 12.98 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.55 144.31 30.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.638 0.256 . . . . 0.0 110.346 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.6 ptm -145.26 134.6 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 110.519 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.52 158.06 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -137.97 131.89 31.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.457 ' N ' HD23 ' G' ' 17' ' ' LEU . 0.3 OUTLIER -144.18 144.38 31.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.191 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -146.25 143.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.98 144.31 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.329 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 23.1 p90 -145.92 145.24 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.397 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 138.29 48.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.25 126.63 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.34 126.25 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -149.53 33.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.24 -88.86 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -172.64 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.577 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.52 -178.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -168.86 117.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 60.1 4.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 141.96 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.99 145.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.694 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.8 mp -143.3 141.08 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.705 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.05 145.16 13.61 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.731 ' N ' HD12 ' G' ' 34' ' ' LEU . 2.1 mp -145.32 144.46 30.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptm -143.67 125.14 14.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -144.26 139.82 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' F' ' 27' ' ' ASN . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -138.05 120.8 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.2 144.34 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.207 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.82 144.22 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 28.4 p90 -144.66 143.28 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -145.29 144.03 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.81 146.5 50.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -116.8 128.78 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -108.41 122.4 46.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 120.91 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.54 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' H' ' 31' ' ' ILE . 8.3 mt -146.15 145.33 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.383 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.75 143.28 21.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.24 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.79 145.77 14.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.892 ' H ' HD23 ' H' ' 34' ' ' LEU . 1.5 pt? -146.15 144.75 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.261 . . . . 0.0 110.446 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 27.9 mtt -144.64 131.4 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.28 150.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.55 34.88 91.14 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' B' ' 22' ' ' GLU . 85.5 mttt -133.95 126.93 31.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 144.61 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.258 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.21 143.99 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.724 0.297 . . . . 0.0 110.432 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -145.69 145.09 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -145.38 143.93 30.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.262 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.29 133.46 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -117.52 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 137.0 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -146.18 145.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.396 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.39 142.85 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.213 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.97 15.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.38 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -143.5 131.06 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.545 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.38 142.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.07 77.69 0.83 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -75.24 -153.37 3.81 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.97 151.77 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -138.21 123.46 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.12 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.192 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.39 144.27 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 24.8 p90 -147.93 146.5 29.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.3 p90 -145.75 145.68 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 154.72 35.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' LYS . 29.3 tt0 -145.51 144.36 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.528 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.545 HD22 ' N ' ' B' ' 23' ' ' ASN . 0.0 OUTLIER -124.88 133.44 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 24' ' ' VAL . 98.2 t -88.75 -15.82 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 26' ' ' SER . . . 166.79 44.21 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 25' ' ' GLY . 40.7 m -169.96 122.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -155.95 55.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -47.27 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -158.29 96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 142.14 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' B' ' 32' ' ' ILE . 6.1 tt -146.12 145.61 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.578 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.26 141.23 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.198 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.6 144.5 12.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.75 148.02 30.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ptp -129.13 136.92 50.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.26 135.12 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.512 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 25.8 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -109.16 143.14 38.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.99 144.41 31.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.22 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.91 143.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 5.6 t80 -144.66 142.51 30.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.174 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 3.5 p90 -146.65 145.93 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.97 158.27 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' D' ' 16' ' ' LYS . 13.4 mm-40 -139.68 127.45 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . 0.662 HD22 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -122.13 130.31 53.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 t -67.66 -15.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.19 1.38 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -162.94 90.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.523 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.78 -178.15 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -172.28 34.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . 84.47 95.37 0.68 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' D' ' 36' ' ' VAL . . . -142.58 145.32 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.476 ' C ' HD12 ' C' ' 32' ' ' ILE . 25.7 mt -145.27 144.57 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.343 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.617 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.7 mp -144.2 142.01 24.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.181 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 144.68 13.0 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -146.14 145.02 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.668 0.271 . . . . 0.0 110.422 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptp -145.37 136.54 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.492 HG12 ' N ' ' C' ' 37' ' ' GLY . 54.8 t -107.32 158.07 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.492 ' N ' HG12 ' C' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' D' ' 15' ' ' GLN . 11.6 mp0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' C' ' 22' ' ' GLU . 74.7 mttt -136.55 123.57 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.652 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.58 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.228 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HD1' ' C' ' 19' ' ' PHE . 97.9 t -147.12 143.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 1.3 p90 -146.5 145.63 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.31 145.95 30.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.93 158.37 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.483 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -142.04 127.0 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -120.22 126.86 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.24 -30.01 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.54 -37.79 0.18 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -82.38 151.04 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.699 HD21 HD21 ' F' ' 27' ' ' ASN . 0.8 OUTLIER -173.28 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -77.88 -50.38 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 121.78 0.82 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.72 143.29 51.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' D' ' 32' ' ' ILE . 7.3 pt -145.72 145.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.421 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.5 mp -143.94 141.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.158 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.5 144.78 13.17 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.21 145.16 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 110.449 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.4 ptm -144.55 135.89 25.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' C' ' 30' ' ' ALA . 3.9 t -110.43 117.69 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' F' ' 27' ' ' ASN . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -137.92 142.91 40.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' F' ' 32' ' ' ILE . 5.6 tt -144.18 144.61 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -145.97 142.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.251 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 145.33 30.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.539 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 13.1 p90 -145.35 144.17 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.246 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 153.03 39.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.42 132.46 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -126.15 121.9 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.23 -73.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.63 -98.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.0 m -161.36 148.31 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -140.86 159.61 41.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -165.9 135.47 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.87 61.91 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.72 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.78 145.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.371 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.591 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.6 OUTLIER -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.899 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.64 146.77 16.85 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.899 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.42 145.61 30.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.345 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 6.2 ptp -144.07 149.44 36.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.489 HG12 ' N ' ' E' ' 37' ' ' GLY . 61.5 t -114.55 158.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -116.49 128.96 55.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.441 HD12 ' H ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -144.01 143.83 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.166 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.9 144.19 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 15.1 p90 -145.33 143.92 30.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.299 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 8.4 p90 -146.02 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.377 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 158.45 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.96 126.8 17.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.59 132.24 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -84.76 -36.56 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 58.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' F' ' 27' ' ' ASN . 2.6 t 174.68 173.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.699 HD21 HD21 ' D' ' 27' ' ' ASN . 22.9 m120 56.65 155.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -165.75 84.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 171.57 85.12 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.35 145.6 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.526 HG22 ' CB ' ' G' ' 35' ' ' MET . 12.7 pt -145.25 144.42 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.699 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.8 mp -143.96 141.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.204 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.936 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -146.98 144.81 13.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.936 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -145.86 145.27 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.374 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -136.02 123.14 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.463 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 26.6 t -80.56 153.82 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -106.71 142.52 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.86 143.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.141 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.77 144.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.63 144.91 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.429 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 17.6 p90 -145.56 144.83 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.268 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.94 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.576 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -144.47 126.39 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -125.76 136.96 53.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.8 -11.52 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -179.68 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . 0.433 ' O ' ' O ' ' G' ' 25' ' ' GLY . 10.3 t 48.92 100.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.25 -46.77 72.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -47.42 157.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -85.2 115.54 4.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 145.09 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.94 144.89 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.368 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.495 HD11 HD11 ' F' ' 34' ' ' LEU . 2.1 pp -146.33 144.03 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.417 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.42 146.54 16.42 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.759 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.4 mp -144.68 143.26 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.526 ' CB ' HG22 ' F' ' 31' ' ' ILE . 1.4 ptp -144.97 133.4 21.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 23.8 m -122.0 158.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -138.07 119.75 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.892 HD23 ' N ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -144.51 144.13 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.186 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' G' ' 20' ' ' PHE . 11.5 t -147.66 145.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.614 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.95 142.68 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.199 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -145.16 143.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.29 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.21 153.63 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.68 137.35 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.56 127.62 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.457 ' O ' HG13 ' H' ' 24' ' ' VAL . 10.9 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.54 144.53 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 110.525 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' G' ' 35' ' ' MET . 20.1 tt -146.74 145.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.879 HD13 ' H ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.74 144.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.78 145.51 14.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.38 145.11 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.7 mtt -144.27 125.44 14.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' H' ' 37' ' ' GLY . 12.2 t -93.64 139.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' H' ' 36' ' ' VAL . . . 59.33 125.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 22' ' ' GLU . 77.4 tttt -117.21 116.81 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 144.54 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.194 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.74 144.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.747 0.308 . . . . 0.0 110.502 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 29.8 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.299 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -145.21 143.86 30.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.343 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 17' ' ' LEU . . . -131.12 158.18 41.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -124.71 129.51 50.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 10.8 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 140.56 30.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 35' ' ' MET . 12.5 tt -146.37 145.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.342 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 pt -146.01 143.86 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.318 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.07 145.91 15.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HB2' HG22 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.96 144.51 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.651 0.262 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 34' ' ' LEU . 4.2 mpp? -144.05 121.96 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.69 134.53 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . 72.44 38.59 57.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -44.81 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.3 p -98.1 128.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.532 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' B' ' 15' ' ' GLN . 3.2 mp0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -117.49 122.08 42.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.785 HD23 ' C ' ' B' ' 17' ' ' LEU . 1.2 tt -143.79 143.87 31.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.209 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -146.32 143.51 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.727 0.299 . . . . 0.0 110.329 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' CE2' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 144.88 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.517 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -144.29 142.99 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.13 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 140.7 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' LYS . 54.5 mm-40 -133.28 131.01 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -125.57 133.62 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -82.17 -28.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.73 121.32 0.56 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -163.14 164.36 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.98 68.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -144.11 171.39 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -69.36 112.56 4.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 135.57 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -145.93 144.83 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -146.27 143.38 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.312 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.644 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -147.9 147.46 18.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.764 ' N ' HD12 ' B' ' 34' ' ' LEU . 1.1 mp -144.9 143.31 30.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' ILE . 14.5 ptm -146.24 132.18 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.452 HG13 HD13 ' B' ' 17' ' ' LEU . 2.4 m -112.66 158.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 22' ' ' GLU . 45.2 mttp -122.56 116.35 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.58 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.34 144.39 31.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 m -146.92 144.33 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.511 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' B' ' 19' ' ' PHE . 18.4 p90 -145.07 143.89 30.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.293 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 3.2 p90 -145.52 144.58 30.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.323 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.34 151.27 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -145.26 130.98 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' C' ' 23' ' ' ASN . 15.2 p-10 -123.62 123.27 40.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.48 -36.4 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.31 41.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.0 p -94.41 -94.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.557 ' C ' HD22 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -154.75 -172.65 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.75 -140.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.74 69.86 1.33 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 145.01 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.55 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -145.85 145.54 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.6 mp -143.7 141.45 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.12 144.41 12.81 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.529 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -145.76 144.58 30.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.629 0.252 . . . . 0.0 110.464 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.46 126.12 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.492 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.472 HG22 ' N ' ' C' ' 37' ' ' GLY . 14.6 p -106.82 157.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -131.47 139.9 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.92 144.4 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.205 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CZ ' ' D' ' 20' ' ' PHE . 77.2 t -146.02 143.01 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.707 0.289 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -145.89 144.72 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.429 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' D' ' 19' ' ' PHE . 31.4 m-85 -144.58 143.56 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.219 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.14 158.58 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 16' ' ' LYS . 26.6 mt-10 -141.79 129.69 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -123.88 129.17 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.426 HG13 ' N ' ' D' ' 25' ' ' GLY . 7.6 p -132.62 -38.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.426 ' N ' HG13 ' D' ' 24' ' ' VAL . . . -87.58 -106.03 0.9 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.4 m -130.55 -176.63 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.529 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' D' ' 29' ' ' GLY . 5.9 m120 -156.26 -64.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm 67.3 -35.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' D' ' 27' ' ' ASN . . . -162.78 101.71 0.19 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.69 132.84 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.599 ' C ' HD12 ' D' ' 32' ' ' ILE . 5.4 pt -145.39 144.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.599 HD12 ' C ' ' D' ' 31' ' ' ILE . 3.8 mp -144.02 141.7 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.909 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.28 144.58 12.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.909 HD23 ' C ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -146.54 146.44 30.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.463 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -135.85 140.95 44.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.25 158.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.95 132.31 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.637 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.219 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.64 143.24 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.347 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 19.7 p90 -146.7 145.65 30.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -145.99 145.54 30.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.373 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.13 157.91 22.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -145.2 141.92 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . 0.679 HD22 ' N ' ' E' ' 23' ' ' ASN . 0.7 OUTLIER -96.23 124.66 40.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.487 HG12 ' O ' ' E' ' 24' ' ' VAL . 91.0 t -87.42 -10.54 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.31 -90.08 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -157.58 54.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 110.579 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -75.64 171.74 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -168.91 89.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . 153.2 87.71 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.4 34.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.38 144.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.2 mp -144.44 142.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.238 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.69 144.85 13.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 144.54 30.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.642 0.258 . . . . 0.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.2 OUTLIER -138.94 122.03 16.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -120.46 150.96 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.719 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -129.67 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.99 144.3 31.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -145.26 142.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.718 0.294 . . . . 0.0 110.289 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -145.06 143.78 30.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.286 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.2 t80 -145.03 143.76 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -131.11 140.17 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.545 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.0 129.74 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -125.51 144.6 50.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.79 -73.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.34 -92.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -153.82 139.08 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.73 149.42 26.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -173.48 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 27.16 68.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.36 140.76 36.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.613 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 tt -145.96 145.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.305 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' F' ' 19' ' ' PHE . 2.0 pp -146.13 143.85 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.408 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.33 145.36 14.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.44 144.96 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptp -145.53 148.07 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.474 ' O ' HG13 ' F' ' 36' ' ' VAL . 14.5 p -110.43 128.74 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.482 ' H ' ' HB3' ' H' ' 22' ' ' GLU . 49.4 mttp -130.28 139.54 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.871 ' N ' HD12 ' G' ' 17' ' ' LEU . 0.0 OUTLIER -143.24 143.35 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.078 179.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.04 144.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' G' ' 32' ' ' ILE . 25.5 p90 -146.22 144.83 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.71 145.29 30.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.9 148.65 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -125.99 139.63 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -93.22 128.57 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.9 -30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.5 -85.77 0.92 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 14.8 t -168.67 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 5.3 m-20 48.05 -163.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -162.36 -26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -164.52 129.78 2.05 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.25 143.55 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' G' ' 32' ' ' ILE . 6.4 tt -146.45 146.1 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' G' ' 19' ' ' PHE . 4.3 mp -144.36 142.59 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.42 144.9 13.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.809 ' C ' HD23 ' G' ' 34' ' ' LEU . 0.7 OUTLIER -145.32 143.53 30.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.242 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.9 ptp -146.04 136.49 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.405 ' H ' HG22 ' G' ' 36' ' ' VAL . 22.0 m -94.36 149.64 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.509 ' NE2' ' OD1' ' G' ' 27' ' ' ASN . 7.7 tp-100 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -138.16 136.22 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.914 ' H ' HD23 ' H' ' 17' ' ' LEU . 1.4 pt? -144.02 143.95 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.201 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.51 143.61 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.32 . . . . 0.0 110.342 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -145.36 144.14 30.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.333 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -145.04 143.92 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.237 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.51 150.23 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.482 ' HB3' ' H ' ' G' ' 16' ' ' LYS . 28.5 tt0 -117.17 130.18 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.91 146.8 47.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.92 143.55 27.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.413 HG21 HD13 ' H' ' 31' ' ' ILE . 12.6 pt -146.33 145.74 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.59 143.29 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.52 145.18 13.81 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.605 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.34 143.87 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -142.48 137.38 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 110.521 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.6 t -110.54 140.38 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 77.21 26.01 62.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -137.66 120.3 16.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 143.7 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.134 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.53 143.65 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.28 144.19 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -145.52 144.44 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.342 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 147.34 33.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -145.24 150.84 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.786 ' H ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.622 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 141.66 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.548 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' ILE . 16.6 tt -146.23 146.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HB3' ' B' ' 34' ' ' LEU . 4.4 mp -144.18 142.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.165 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.47 144.78 13.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.02 144.97 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.694 0.283 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -142.78 145.24 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.583 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.29 119.74 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.85 -67.2 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.22 -139.99 1.06 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.54 136.48 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.586 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -116.62 132.13 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.917 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.4 pt? -144.05 143.92 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.169 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.62 144.74 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -146.25 145.05 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 3.3 p90 -145.77 145.23 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.393 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.56 142.96 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -130.21 126.51 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 15' ' ' GLN . 17.0 m120 -95.51 126.73 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.31 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.06 -167.97 27.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.7 p -47.53 125.14 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -145.81 159.76 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.15 -168.66 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.19 118.92 5.64 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.27 144.96 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.588 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.407 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -145.86 144.87 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.37 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.2 mp -143.77 141.75 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.7 145.31 14.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -145.66 144.2 30.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.0 ptm -144.83 129.35 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 37' ' ' GLY . 12.6 p -90.96 157.9 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.484 ' N ' HG22 ' B' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.555 HE22 ' N ' ' D' ' 25' ' ' GLY . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -105.93 117.97 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.91 ' H ' HD23 ' C' ' 17' ' ' LEU . 1.5 pt? -143.75 143.51 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.161 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -146.95 144.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.04 143.41 30.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.218 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -146.49 145.74 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.429 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.15 150.7 42.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -145.36 128.83 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . 0.613 HD22 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -125.85 129.61 49.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.435 ' H ' HG22 ' C' ' 24' ' ' VAL . 5.6 m -86.39 -33.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' C' ' 26' ' ' SER . . . 155.73 96.83 0.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 25' ' ' GLY . 6.4 m -166.97 -144.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.487 ' O ' ' NE2' ' D' ' 15' ' ' GLN . 22.4 m120 -57.87 154.97 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' C' ' 30' ' ' ALA . 53.5 mtpt -112.47 -40.44 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . -53.24 85.38 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -142.27 145.34 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.44 ' C ' HD12 ' C' ' 32' ' ' ILE . 5.1 tt -145.82 145.61 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.5 mp -143.93 141.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.76 144.17 12.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.952 HD12 ' H ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -145.24 143.71 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.5 ptm -145.71 142.04 28.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -128.29 146.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 27' ' ' ASN . 81.9 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -130.21 129.98 44.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.623 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.76 143.54 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -147.77 144.68 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 13.6 p90 -146.09 144.97 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.435 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.2 144.19 51.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.502 ' C ' HD22 ' D' ' 23' ' ' ASN . 59.4 tt0 -135.26 140.9 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . 0.527 HD22 ' N ' ' D' ' 23' ' ' ASN . 1.0 OUTLIER -112.89 146.97 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.35 -14.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.555 ' N ' HE22 ' C' ' 15' ' ' GLN . . . -105.61 -57.66 0.66 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -161.97 151.89 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.576 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -87.66 142.24 27.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -147.19 172.95 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.41 117.49 7.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.7 144.68 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.452 ' C ' HD12 ' D' ' 32' ' ' ILE . 2.5 tt -146.0 145.54 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.437 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.8 mp -143.01 140.79 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.98 145.17 13.65 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.1 OUTLIER -145.95 144.77 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 128.63 17.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.442 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.19 142.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' F' ' 22' ' ' GLU . 2.9 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' F' ' 22' ' ' GLU . 30.7 mttm -135.12 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.93 144.03 31.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.08 144.28 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.45 144.65 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 33.4 p90 -145.16 143.91 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.234 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.72 152.61 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -144.94 127.27 15.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.7 136.07 53.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.469 ' H ' ' NE2' ' F' ' 15' ' ' GLN . 60.5 t -85.19 -35.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.65 ' H ' ' NE2' ' F' ' 15' ' ' GLN . . . 172.55 -89.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 31.5 t 54.79 -118.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.623 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.435 ' N ' ' OG ' ' E' ' 26' ' ' SER . 72.8 m-80 -151.47 -165.85 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -81.98 -149.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.35 56.21 24.79 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.01 124.71 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -146.28 146.12 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.46 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.546 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.7 OUTLIER -145.92 143.39 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.4 145.32 14.14 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.885 ' N ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -144.64 143.13 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 13.0 ptm -145.73 127.68 15.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 12.7 p -100.33 145.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.65 ' NE2' ' H ' ' E' ' 25' ' ' GLY . 58.6 mt-30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -124.54 117.11 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.537 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.99 143.82 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.156 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -147.49 144.64 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 6.9 p90 -145.45 144.67 30.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.381 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.1 t80 -144.48 143.35 30.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.205 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -121.38 158.77 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.548 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' E' ' 16' ' ' LYS . 27.5 tt0 -135.15 126.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.95 132.95 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -84.25 -13.13 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.53 -159.01 9.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -49.15 164.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.7 HD21 ' N ' ' G' ' 15' ' ' GLN . 0.8 OUTLIER -100.52 154.21 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -104.62 -9.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.19 67.45 0.13 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.9 135.76 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.555 ' C ' HD12 ' F' ' 32' ' ' ILE . 5.8 tt -145.52 145.31 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.314 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.555 HD12 ' C ' ' F' ' 31' ' ' ILE . 4.8 mp -143.31 140.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.77 145.55 14.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.546 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.82 146.04 30.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.682 0.277 . . . . 0.0 110.444 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptp -145.78 126.91 14.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.568 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.18 143.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.7 ' N ' HD21 ' F' ' 27' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' CB ' ' G' ' 16' ' ' LYS . 9.1 mtmp? -136.66 127.17 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.886 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -143.97 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.7 142.87 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.305 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -146.12 144.38 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.396 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.97 145.28 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.371 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 158.15 38.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -140.93 127.96 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' G' ' 24' ' ' VAL . 60.0 t-20 -103.49 144.42 31.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.49 HG13 ' N ' ' G' ' 25' ' ' GLY . 14.6 p -159.04 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.49 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -81.9 -143.98 4.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -79.69 -178.41 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 64.7 t-20 -158.87 142.2 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' G' ' 27' ' ' ASN . 8.5 ptmm? -157.72 52.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.477 ' O ' ' CA ' ' H' ' 37' ' ' GLY . . . 92.78 110.09 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.77 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -145.97 145.38 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.6 mp -143.44 141.39 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.087 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.583 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.12 145.26 13.8 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.768 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.7 OUTLIER -144.61 143.38 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.436 ' O ' ' O ' ' H' ' 31' ' ' ILE . 12.4 ptm -146.21 135.3 22.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' G' ' 17' ' ' LEU . 2.7 m -118.8 129.69 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -131.43 129.56 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.18 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.185 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -147.14 144.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 25.2 p90 -144.44 143.29 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.304 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -145.35 143.9 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.273 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.37 152.79 42.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 110.552 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.73 134.09 55.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -126.0 146.37 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.82 135.67 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' G' ' 35' ' ' MET . 14.3 mt -146.34 145.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.94 143.46 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.257 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.46 145.65 14.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.883 ' H ' HD23 ' H' ' 34' ' ' LEU . 1.4 pt? -146.34 144.87 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.619 0.247 . . . . 0.0 110.452 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtp -142.56 131.15 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.64 157.76 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' G' ' 29' ' ' GLY . . . 66.14 2.61 14.3 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -138.09 126.2 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 143.92 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.172 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -146.85 143.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.381 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -145.61 144.55 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.315 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -145.54 144.5 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.7 156.17 46.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.1 134.51 26.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.76 132.87 42.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.47 146.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.416 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.49 142.99 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.157 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.87 15.18 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.08 143.4 30.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.34 130.31 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 0.0 110.537 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.59 ' N ' ' SD ' ' A' ' 35' ' ' MET . 74.4 t -105.19 144.72 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 60.1 49.39 79.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -58.06 143.38 43.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -86.37 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.618 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' C' ' 22' ' ' GLU . 60.9 mttm -137.9 119.23 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.629 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.46 144.47 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.172 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.36 144.49 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.6 p90 -146.08 144.79 30.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.307 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.5 p90 -145.65 145.11 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.3 151.92 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -141.93 127.17 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 26' ' ' SER . 1.6 t-20 -125.68 120.58 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.09 62.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.18 -167.23 34.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' B' ' 23' ' ' ASN . 60.6 p -54.74 168.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.349 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.67 126.7 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -74.33 -30.92 62.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . 153.45 129.53 1.38 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.89 139.9 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -146.22 145.98 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.444 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.608 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.7 mp -143.12 140.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.17 145.26 13.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 148.23 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.579 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ptp -128.22 129.7 46.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.95 140.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' D' ' 24' ' ' VAL . 19.1 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -138.09 116.24 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.89 144.41 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -145.71 143.01 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -144.82 142.87 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.258 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 1.6 p90 -146.25 145.3 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.335 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 139.64 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.502 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 16' ' ' LYS . 47.1 mt-10 -136.26 128.58 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -110.55 139.71 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.414 HG22 ' H ' ' C' ' 24' ' ' VAL . 5.9 m -79.17 9.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.02 -107.63 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 27' ' ' ASN . 49.3 m -140.87 -2.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' C' ' 26' ' ' SER . 2.6 m120 47.65 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -172.93 97.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.62 59.95 1.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.07 134.84 38.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' C' ' 32' ' ' ILE . 37.7 mt -145.31 144.9 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' D' ' 34' ' ' LEU . 4.1 mp -143.98 141.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.875 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.17 144.03 12.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.875 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.77 145.83 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.81 139.3 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.56 150.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -108.51 125.52 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.618 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.9 143.49 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.14 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.449 ' HB ' ' CE2' ' C' ' 20' ' ' PHE . 89.4 t -149.44 145.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 27.7 p90 -148.26 148.13 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 20.9 p90 -145.41 144.95 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.293 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.61 155.75 33.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -145.22 133.8 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -100.56 127.67 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.552 ' H ' ' NE2' ' C' ' 15' ' ' GLN . 86.8 t -80.04 -31.79 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.485 ' H ' HE22 ' C' ' 15' ' ' GLN . . . 165.55 35.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.509 ' H ' HE22 ' C' ' 15' ' ' GLN . 10.4 t -158.88 -124.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.56 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.408 HD22 ' C ' ' D' ' 27' ' ' ASN . 0.2 OUTLIER 62.16 116.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -94.42 -46.92 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -152.69 143.67 10.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.62 145.67 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' D' ' 32' ' ' ILE . 4.0 tt -146.14 145.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.9 mp -143.84 141.61 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.086 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.9 145.38 14.12 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.547 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -145.73 144.47 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 110.358 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.454 ' CB ' HG22 ' E' ' 31' ' ' ILE . 0.7 OUTLIER -142.31 131.55 23.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 158.14 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' F' ' 22' ' ' GLU . 91.5 mttt -108.69 143.81 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 144.28 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.211 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -146.54 143.78 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' CE2' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.47 144.27 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.287 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 6.6 p90 -145.79 144.86 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.317 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.43 139.98 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -122.35 138.4 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -103.47 129.07 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 t -137.9 -44.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.09 -97.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.7 p -175.71 -66.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.339 . . . . 0.0 110.589 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.31 177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -161.23 112.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.86 48.07 4.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 141.29 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' D' ' 35' ' ' MET . 8.6 pt -146.46 146.07 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.384 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.573 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.1 pt -146.89 144.36 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.387 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.609 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.71 146.59 16.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.875 HD23 ' N ' ' E' ' 34' ' ' LEU . 0.3 OUTLIER -146.72 145.57 30.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 110.516 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.8 ptm -145.42 126.33 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.412 HG12 ' N ' ' E' ' 37' ' ' GLY . 82.6 t -114.19 153.56 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' F' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -105.97 127.3 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.633 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.03 143.98 31.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.135 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -146.96 144.15 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.555 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 12.4 p90 -145.52 144.33 30.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.93 144.06 30.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.5 158.79 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' E' ' 16' ' ' LYS . 1.1 tm-20 -128.32 126.58 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' G' ' 15' ' ' GLN . 88.2 m-20 -116.01 146.28 42.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.414 HG13 ' N ' ' F' ' 25' ' ' GLY . 11.8 p -157.01 -35.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.414 ' N ' HG13 ' F' ' 24' ' ' VAL . . . -107.09 -109.3 3.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t 171.6 145.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -159.72 -57.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' E' ' 37' ' ' GLY . 10.9 tptp -160.89 -139.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' F' ' 28' ' ' LYS . . . -107.13 173.03 18.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 136.15 29.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 tt -146.25 146.31 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.755 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.3 mp -143.06 140.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.013 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.848 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -147.04 144.96 13.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.848 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -146.21 144.97 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.65 0.262 . . . . 0.0 110.413 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ptm -146.19 125.86 13.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' F' ' 37' ' ' GLY . 16.7 m -98.6 156.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' H' ' 22' ' ' GLU . 2.5 mm100 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -106.56 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.452 ' N ' HD23 ' G' ' 17' ' ' LEU . 0.4 OUTLIER -143.68 143.93 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.171 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -146.69 143.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.14 144.49 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.1 p90 -145.89 145.21 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.327 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.42 158.25 34.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.74 128.06 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -125.28 130.35 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.28 -19.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.07 14.44 52.07 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m 60.53 -174.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -176.58 167.8 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -79.19 -65.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.4 93.18 0.13 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.42 145.16 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.334 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -145.68 145.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.727 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.6 141.29 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.087 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.656 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.03 145.45 14.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.734 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.6 mp -144.78 143.41 30.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.496 ' O ' ' O ' ' H' ' 31' ' ' ILE . 11.3 ptm -145.85 131.12 18.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.83 153.32 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -135.55 127.63 29.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.53 144.42 31.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.98 144.82 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 29.1 p90 -143.95 142.67 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -145.12 143.29 30.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 110.258 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.47 146.0 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' G' ' 15' ' ' GLN . 5.0 pt-20 -143.2 129.54 19.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -125.66 142.41 51.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.88 133.97 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' G' ' 35' ' ' MET . 12.7 tt -146.55 145.9 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 pt -145.95 143.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -147.23 146.16 15.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.727 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.11 145.0 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.5 mtp -140.56 131.2 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.495 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' H' ' 38' ' ' GLY . 16.6 t -97.93 141.83 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 -41.52 0.76 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 6.3 mp0 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -131.08 141.32 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.84 143.78 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.419 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.65 144.6 30.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -145.47 144.34 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.76 127.8 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.99 151.43 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.39 146.61 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 tp -146.27 145.48 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.401 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.64 143.53 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.222 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.83 15.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.12 143.64 30.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttm -140.89 134.3 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 110.588 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 37' ' ' GLY . 85.4 t -126.27 155.55 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.541 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 82.69 20.38 61.78 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -177.36 2.39 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 39' ' ' VAL . 29.6 m -86.95 145.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -105.72 118.65 37.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.643 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.24 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.179 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -147.7 144.73 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 7.2 p90 -146.5 145.12 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.319 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -146.46 146.31 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.47 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.54 135.24 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -124.08 135.48 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -100.78 144.61 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.62 -30.33 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.94 -44.83 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 p -163.99 -159.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -159.14 -165.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -171.99 84.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.19 117.02 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.21 133.89 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.535 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.498 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 pt -145.15 144.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.96 141.81 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.229 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 144.32 12.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.402 HD13 HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -147.5 146.86 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.504 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 15.4 ptm -144.42 141.71 29.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.611 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.89 117.6 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.424 ' N ' HG13 ' D' ' 24' ' ' VAL . 65.3 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' D' ' 22' ' ' GLU . 58.0 tttp -107.07 129.95 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.626 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 144.33 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.197 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -146.66 143.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.427 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' CE2' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 144.43 30.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -145.87 144.89 30.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.345 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.1 127.94 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -120.82 142.88 49.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -122.27 141.49 51.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -145.82 56.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.88 -77.1 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.9 t -156.33 149.78 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -171.38 37.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -65.83 163.86 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.25 23.84 19.59 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.69 139.63 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.437 ' C ' HD12 ' C' ' 32' ' ' ILE . 7.3 tt -145.58 145.21 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.64 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.9 mp -143.49 141.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.091 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.844 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.66 144.8 13.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.844 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.06 145.01 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.402 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ptp -145.08 138.06 26.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 36' ' ' VAL . 29.2 m -117.27 124.55 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -128.67 131.02 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.609 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.92 143.98 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.163 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 t -146.72 144.0 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.455 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 31.8 p90 -145.08 144.0 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 21' ' ' ALA . 15.0 t80 -144.87 143.5 30.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.237 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' D' ' 20' ' ' PHE . . . -125.35 150.45 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 16' ' ' LYS . 35.0 tt0 -144.46 129.49 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -93.77 143.5 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.424 HG13 ' N ' ' C' ' 15' ' ' GLN . 34.3 m -81.35 -31.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.77 -28.45 0.11 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -58.44 171.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' D' ' 27' ' ' ASN . 0.7 OUTLIER -127.97 104.25 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.424 ' HD3' HE22 ' C' ' 15' ' ' GLN . 14.4 mtpp -142.83 168.2 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -92.25 148.73 19.3 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.26 145.21 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.512 ' C ' HD12 ' D' ' 32' ' ' ILE . 10.1 tt -146.2 145.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.605 ' O ' HD12 ' E' ' 34' ' ' LEU . 3.9 mp -143.93 141.56 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.079 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.552 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.25 145.11 13.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.64 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.74 146.14 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.477 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ptp -144.78 134.54 23.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 t -103.17 118.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.533 ' OE1' ' N ' ' E' ' 15' ' ' GLN . 2.3 pm0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -106.08 137.05 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.512 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.678 ' CD1' ' HB2' ' F' ' 21' ' ' ALA . 11.6 tp -142.98 142.83 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.156 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.405 ' N ' ' HG ' ' E' ' 17' ' ' LEU . 12.3 p -145.51 142.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.84 144.81 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 20.9 p90 -145.65 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.274 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.9 140.14 53.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.59 136.2 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' E' ' 23' ' ' ASN . 1.5 m120 -119.41 137.19 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.99 51.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.14 -109.64 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -164.83 142.39 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 6.8 p-10 -154.28 -51.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt 44.85 74.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' F' ' 37' ' ' GLY . . . 149.11 62.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.83 40.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.3 145.31 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.352 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.65 144.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.83 145.93 15.29 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.721 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -145.45 144.39 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' E' ' 35' ' ' MET . 11.5 tmm? -143.64 144.35 31.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.54 154.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' G' ' 27' ' ' ASN . 38.1 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -119.17 140.52 50.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.82 143.64 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.129 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.38 144.44 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 8.9 p90 -145.53 144.59 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.321 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.9 t80 -145.31 144.4 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.266 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.678 ' HB2' ' CD1' ' E' ' 17' ' ' LEU . . . -122.31 156.32 34.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -145.03 138.68 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -121.21 120.25 34.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.54 -29.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.38 -86.67 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -52.34 144.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -172.27 170.54 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -172.15 -72.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -154.91 138.38 6.1 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.49 34.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.593 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.54 144.89 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.427 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.645 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.1 mp -143.62 141.44 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.442 ' C ' HD12 ' F' ' 34' ' ' LEU . . . -146.57 144.55 12.86 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.845 HD12 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -145.19 144.31 30.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -145.64 126.69 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.495 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.33 144.12 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' E' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -138.16 130.35 28.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.36 144.67 31.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.284 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.78 143.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.297 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.75 144.06 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.4 p90 -145.85 145.16 30.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.335 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 157.99 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' G' ' 22' ' ' GLU . 9.0 mp0 -141.18 126.92 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -125.64 143.21 51.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.459 HG13 ' N ' ' G' ' 25' ' ' GLY . 7.3 p -125.94 -40.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.459 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -67.11 -118.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -164.66 63.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.474 HD21 ' NE2' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -46.48 146.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' CB ' ' G' ' 28' ' ' LYS . 6.6 ttpm? -75.21 -39.92 59.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -166.34 126.99 1.53 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 145.18 33.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 11.4 tt -145.45 144.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.11 141.1 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.595 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -146.91 144.97 13.28 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.73 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.2 mp -145.53 144.5 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ptm -145.04 130.72 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.493 HG22 ' N ' ' G' ' 37' ' ' GLY . 4.0 p -94.85 158.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.493 ' N ' HG22 ' G' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -137.99 118.09 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.03 144.11 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -146.47 143.91 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -144.78 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -145.38 143.96 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.4 128.28 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -119.56 127.75 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -118.84 141.85 48.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.31 141.38 28.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -146.96 146.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.874 HD13 ' H ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.08 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.438 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.6 145.12 13.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.76 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.86 145.94 30.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.675 0.274 . . . . 0.0 110.458 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 62.4 mtt -139.17 139.51 37.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.58 132.78 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.524 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 124.36 -54.38 0.73 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.39 129.58 27.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.98 144.06 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.217 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.94 143.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.452 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -145.39 144.33 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.54 152.87 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.06 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.481 HD22 ' CG ' ' B' ' 15' ' ' GLN . 10.1 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.92 145.7 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.556 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.81 145.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.89 143.63 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.259 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.79 146.05 15.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.25 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mtt -141.5 138.53 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 36' ' ' VAL . 35.4 m -114.88 124.05 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 157.62 -77.61 0.19 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.31 1.85 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.01 159.73 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.571 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.481 ' CG ' HD22 ' A' ' 23' ' ' ASN . 10.6 mp0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -138.13 126.44 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.885 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.47 144.61 31.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.66 144.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.53 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 2.9 p90 -146.05 145.03 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.9 p90 -145.31 144.48 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.6 135.01 46.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -118.55 128.96 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -124.92 126.23 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 25' ' ' GLY . 22.6 m -81.6 -38.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 24' ' ' VAL . . . -159.91 -43.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -64.07 76.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' GLY . 0.3 OUTLIER -100.03 -68.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm 61.41 -72.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 27' ' ' ASN . . . -166.97 132.68 2.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.92 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.491 ' C ' HD12 ' B' ' 32' ' ' ILE . 9.1 tt -145.69 145.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.373 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.6 mp -144.36 142.32 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.284 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.55 12.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.592 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -148.17 148.33 30.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.605 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -140.66 139.06 34.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.13 133.61 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -106.8 134.91 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' C' ' 34' ' ' LEU . 5.1 tt -143.87 144.04 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' B' ' 20' ' ' PHE . 78.0 t -144.84 142.73 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.364 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.9 t80 -142.52 140.43 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.932 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.51 143.01 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.228 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.85 158.05 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -142.8 129.32 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . 0.529 HD22 ' C ' ' C' ' 23' ' ' ASN . 0.2 OUTLIER -125.8 123.27 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -89.08 -49.52 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.12 172.4 0.31 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -98.99 -6.55 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -157.02 121.24 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -161.29 95.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.58 103.23 0.21 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.1 142.76 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.15 146.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.592 HD11 HD11 ' B' ' 34' ' ' LEU . 17.7 pt -146.07 144.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.394 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.668 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.56 145.01 13.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.69 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -145.99 145.2 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.635 0.255 . . . . 0.0 110.471 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttp -136.96 144.4 43.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.78 117.7 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -105.76 121.96 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.507 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.34 144.5 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.25 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -146.98 144.33 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 1.6 p90 -146.4 145.17 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.473 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -145.57 144.83 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.329 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.83 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -145.33 126.97 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . 0.607 HD22 ' N ' ' D' ' 23' ' ' ASN . 0.2 OUTLIER -125.37 142.12 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.41 -20.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.3 -68.49 1.42 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -170.11 133.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.757 HD21 HE22 ' E' ' 15' ' ' GLN . 2.3 p-10 -147.54 118.94 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -80.49 -34.58 35.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -176.5 142.98 6.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.31 40.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.97 145.4 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.4 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.69 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.1 mp -143.41 141.4 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.056 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.8 145.03 13.42 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.75 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.628 0.251 . . . . 0.0 110.401 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ptp -143.43 132.98 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.426 ' O ' HG23 ' D' ' 36' ' ' VAL . 6.2 m -133.16 133.01 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.757 HE22 HD21 ' D' ' 27' ' ' ASN . 7.9 mt-30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -110.76 133.96 52.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.545 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -143.89 144.29 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 179.671 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.9 143.89 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.735 0.302 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.65 144.79 30.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.372 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 3.6 p90 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.308 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.68 150.89 48.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.15 145.35 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . 0.727 HD22 ' H ' ' E' ' 24' ' ' VAL . 0.8 OUTLIER -99.05 141.29 31.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.727 ' H ' HD22 ' E' ' 23' ' ' ASN . 17.4 m -135.69 32.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.477 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . -178.93 -103.31 0.17 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -151.19 82.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 6.6 p-10 -66.65 156.62 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -172.76 139.17 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.37 27.62 53.69 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.85 141.04 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -145.3 144.8 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.344 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.7 pt -146.3 143.5 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.4 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.22 146.35 16.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.666 ' HB3' HG23 ' F' ' 32' ' ' ILE . 0.2 OUTLIER -146.89 145.79 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.408 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -144.38 145.1 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.84 153.73 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.458 HE21 ' CG1' ' F' ' 36' ' ' VAL . 15.1 pt20 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -105.9 125.88 51.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.95 143.77 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.205 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -146.74 144.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 10.9 p90 -145.18 144.07 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.316 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 20.9 t80 -144.78 143.57 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.536 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -125.41 155.65 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -142.86 132.06 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.69 129.23 49.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.576 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -52.67 -54.51 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 53.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 84.2 p -147.19 -75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.595 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.517 ' N ' ' OG ' ' F' ' 26' ' ' SER . 19.3 p-10 -67.03 138.7 57.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.431 ' HB3' HE22 ' G' ' 15' ' ' GLN . 16.0 pttp -137.91 121.43 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.96 91.02 0.14 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.96 145.85 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -146.02 145.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.5 mp -143.74 141.52 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.97 13.24 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.561 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.04 146.17 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.704 0.287 . . . . 0.0 110.446 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.05 127.84 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.504 ' O ' HG23 ' F' ' 36' ' ' VAL . 5.2 m -130.84 127.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.431 HE22 ' HB3' ' F' ' 28' ' ' LYS . 9.8 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -105.92 134.48 48.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.15 144.29 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.249 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.12 143.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.373 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.61 143.92 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.302 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 4.8 p90 -145.73 144.89 30.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.98 149.2 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -143.41 131.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -103.83 140.58 37.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.18 28.78 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.46 -98.69 0.11 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 55.0 p -161.42 -176.74 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.627 HD22 ' N ' ' G' ' 28' ' ' LYS . 2.3 p-10 -165.87 -155.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.627 ' N ' HD22 ' G' ' 27' ' ' ASN . 47.5 tttp -154.62 75.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 116.33 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.54 145.13 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.622 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.49 144.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.9 mp -143.59 141.57 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.477 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.02 145.19 13.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.808 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -144.86 143.55 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -146.15 138.34 25.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.619 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.44 144.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' H' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.456 ' NZ ' ' CB ' ' H' ' 16' ' ' LYS . 9.2 mtmp? -130.54 118.56 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.41 144.4 31.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.195 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.54 144.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 0.0 110.424 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' H' ' 19' ' ' PHE . 25.6 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.275 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.21 143.81 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.282 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.93 158.16 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -143.53 137.87 28.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -119.82 135.92 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.05 139.54 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 tt -146.87 146.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.442 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.888 HD13 ' H ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.53 144.39 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.44 145.35 14.18 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.726 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -145.97 144.61 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.655 0.264 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 47.4 mtm -144.53 127.78 16.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' H' ' 38' ' ' GLY . 31.0 m -111.32 150.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.68 1.22 3.35 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -134.79 139.78 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.9 143.83 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.161 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -146.73 144.08 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 34' ' ' LEU . 42.9 p90 -144.59 143.41 30.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -145.05 143.54 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.231 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 157.33 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -120.72 134.78 55.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.6 136.35 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mt -146.44 145.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.875 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -146.48 144.1 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.429 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 145.73 14.92 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.682 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -146.39 145.01 30.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ttt -139.1 131.32 28.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -112.98 141.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.21 47.47 17.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.86 -152.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.7 151.77 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.536 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -105.83 131.03 53.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.887 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.15 144.33 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.265 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.33 143.74 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.392 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -145.6 143.86 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.277 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.4 p90 -145.83 145.12 30.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.06 147.62 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.13 128.57 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.28 143.02 50.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.42 23.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 26' ' ' SER . . . 164.48 174.24 34.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 25' ' ' GLY . 7.3 m 59.87 147.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -153.28 28.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.33 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 124.81 0.97 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.8 142.59 33.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -145.86 145.56 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mp -143.87 141.61 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.089 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.574 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -146.81 145.04 13.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.757 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.7 OUTLIER -144.77 143.6 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.9 ptm -145.27 134.83 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 17' ' ' LEU . 2.7 p -125.35 131.55 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.654 ' NE2' HD22 ' D' ' 23' ' ' ASN . 24.8 mm-40 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -112.41 123.68 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.545 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -143.71 143.55 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.09 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -147.18 144.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 9.9 p90 -145.52 144.45 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 21' ' ' ALA . 9.9 t80 -144.88 143.86 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.234 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' C' ' 20' ' ' PHE . . . -123.17 158.2 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.547 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' D' ' 15' ' ' GLN . 41.6 tt0 -135.23 142.42 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -125.63 120.15 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -117.44 16.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.14 -131.91 2.04 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -99.66 127.86 45.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.593 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.514 ' C ' HD22 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -58.22 -179.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -157.42 -56.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 162.74 78.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.72 137.01 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.522 ' C ' HD12 ' C' ' 32' ' ' ILE . 8.2 tt -146.1 145.82 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.522 HD12 ' C ' ' C' ' 31' ' ' ILE . 4.9 mp -143.23 140.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' D' ' 33' ' ' GLY . . . -147.69 145.41 14.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.543 ' CB ' HG22 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.93 146.22 30.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.461 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.3 ptm -145.73 129.98 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -125.1 158.68 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' C' ' 22' ' ' GLU . 74.1 mt-30 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' C' ' 22' ' ' GLU . 39.9 tttp -110.51 135.95 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.98 144.27 31.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.78 144.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.25 143.97 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -145.67 144.79 30.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.322 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.47 144.43 51.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -139.43 128.31 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASN . . . . . 0.654 HD22 ' NE2' ' C' ' 15' ' ' GLN . 3.5 m120 -115.58 144.51 43.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.11 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.75 69.33 0.05 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -177.09 57.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.426 HD21 ' HB3' ' D' ' 23' ' ' ASN . 3.0 m120 -85.51 140.02 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -159.48 103.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.93 85.18 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.39 139.67 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.67 146.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.543 HG22 ' CB ' ' C' ' 34' ' ' LEU . 0.9 OUTLIER -145.85 143.52 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.292 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' C' ' 33' ' ' GLY . . . -146.32 145.36 14.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.864 HD12 ' N ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -144.3 142.85 30.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.8 ptm -145.69 135.61 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.72 153.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -132.39 134.82 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.518 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.621 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -144.05 143.97 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.189 179.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -146.7 143.94 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.549 ' HZ ' HD13 ' D' ' 34' ' ' LEU . 14.4 p90 -145.26 143.92 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 11.2 p90 -145.51 144.69 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.349 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.84 152.62 29.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -145.16 132.89 21.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASN . . . . . 0.672 HD21 ' H ' ' E' ' 26' ' ' SER . 2.0 t-20 -98.67 146.06 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.548 ' H ' HD22 ' E' ' 23' ' ' ASN . 6.7 m -123.38 18.7 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.555 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . 175.19 -57.79 0.12 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.672 ' H ' HD21 ' E' ' 23' ' ' ASN . 6.3 t -167.44 122.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 13.7 p-10 -86.53 172.52 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -143.24 68.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.53 130.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG23 ' F' ' 36' ' ' VAL . . . -142.37 145.38 33.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 tt -145.99 145.53 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.4 mp -144.12 141.93 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.135 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.854 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.53 144.68 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.854 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.59 145.63 30.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.9 ptp -144.88 123.92 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.548 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -110.8 130.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' F' ' 29' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -135.01 144.26 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -143.24 143.07 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.128 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.75 142.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.307 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.16 144.94 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 1.1 p90 -145.6 144.69 30.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.53 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.516 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -140.53 149.01 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -98.58 146.58 25.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.451 HG22 ' O ' ' F' ' 24' ' ' VAL . 13.9 p -133.71 -9.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.9 -111.7 0.61 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t 174.94 77.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -92.01 -152.5 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -168.99 135.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 89.97 68.46 1.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 140.33 34.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 tt -146.46 146.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.406 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.582 HG22 ' CB ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -146.28 143.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.96 146.27 15.96 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -146.09 144.7 30.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 110.327 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.69 139.5 28.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.462 HG22 ' N ' ' F' ' 37' ' ' GLY . 5.3 p -123.65 155.79 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.563 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.462 ' N ' HG22 ' F' ' 36' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -105.77 135.08 47.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.879 ' N ' HD23 ' G' ' 17' ' ' LEU . 1.3 pt? -144.21 144.29 31.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.17 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.18 144.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.46 144.76 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.326 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.79 145.45 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.338 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.53 158.4 29.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' H' ' 16' ' ' LYS . 51.1 mt-10 -139.19 142.12 37.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -125.12 140.39 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.406 ' O ' HG22 ' G' ' 24' ' ' VAL . 7.6 p -155.68 -16.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.551 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.88 -112.36 0.79 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -161.23 97.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.85 -178.04 5.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -164.06 93.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . 135.79 98.1 0.54 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.05 131.15 28.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.526 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.5 tt -146.39 145.87 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.694 HG21 ' CZ ' ' G' ' 19' ' ' PHE . 4.9 mp -144.05 142.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.291 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.33 143.9 12.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.09 146.64 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.7 ptp -142.36 145.53 34.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.409 ' O ' HG23 ' G' ' 36' ' ' VAL . 16.0 m -123.16 133.46 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' G' ' 22' ' ' GLU . 16.2 mtmm -129.45 133.55 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.67 31.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -147.4 144.44 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.487 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -145.31 144.57 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.343 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -145.54 144.07 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.231 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -137.05 130.71 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -121.97 136.64 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.32 145.64 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -146.1 145.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.42 143.25 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.227 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.86 145.75 14.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.3 OUTLIER -145.13 143.63 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mmt -142.81 130.06 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.511 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.467 HG12 ' N ' ' H' ' 37' ' ' GLY . 32.7 t -106.77 158.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 49.88 24.04 5.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 22' ' ' GLU . 11.4 ttmm -138.75 118.55 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.23 144.33 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.226 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -146.44 143.99 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.39 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -144.85 143.42 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.55 144.01 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.266 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.89 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.633 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -120.45 141.4 50.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -93.63 145.53 24.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.566 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.5 m -71.12 -3.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.58 60.04 0.32 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.0 p -163.22 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.8 OUTLIER 59.69 62.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -165.93 -7.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.46 -19.83 6.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 135.89 36.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -147.19 146.88 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.454 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 32' ' ' ILE . 9.2 pt -146.18 143.85 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.22 146.02 15.38 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.841 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.7 pt? -146.71 145.64 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 0.0 110.465 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.5 ttt -142.3 123.53 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 37' ' ' GLY . 7.4 p -108.26 158.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 36' ' ' VAL . . . 46.79 48.78 17.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.84 -126.05 0.03 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.59 144.89 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.518 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' B' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.28 138.11 46.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 144.31 31.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.196 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.74 144.03 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.672 ' CE2' ' CE1' ' C' ' 19' ' ' PHE . 1.2 p90 -146.46 144.94 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.354 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -145.61 144.77 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.32 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.8 136.09 50.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.486 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' LYS . 28.5 mt-10 -136.1 127.46 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -111.11 139.39 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -128.96 21.86 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.33 157.46 27.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -79.47 72.92 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.605 HD22 ' N ' ' B' ' 27' ' ' ASN . 0.0 OUTLIER -80.06 171.64 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -82.68 -160.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.64 136.3 7.77 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.33 130.08 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.651 ' C ' HD12 ' B' ' 31' ' ' ILE . 1.2 pp -146.0 145.4 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.369 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.48 143.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.285 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -147.71 146.44 16.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -145.95 144.57 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.658 0.266 . . . . 0.0 110.323 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.3 ptp -145.43 131.94 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.582 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.494 HG22 ' N ' ' B' ' 37' ' ' GLY . 5.8 p -114.57 157.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 36' ' ' VAL . . . 177.79 -154.96 16.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.31 65.03 0.3 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.14 133.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.588 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' D' ' 22' ' ' GLU . 30.4 tttp -128.1 116.88 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.642 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.27 144.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -145.96 143.04 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.324 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.754 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -144.92 143.76 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.275 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD2' HG23 ' D' ' 18' ' ' VAL . 0.1 OUTLIER -145.64 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.31 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 156.1 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -143.03 128.26 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . 0.421 HD22 ' N ' ' D' ' 15' ' ' GLN . 6.7 t-20 -125.02 126.62 45.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.65 -58.45 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.17 0.17 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -156.98 127.68 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -84.75 125.43 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.58 -58.6 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . -160.57 107.3 0.31 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.3 137.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -145.75 145.66 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' D' ' 34' ' ' LEU . 32.9 mt -143.63 141.11 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.99 145.1 13.51 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -146.4 145.4 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.685 0.279 . . . . 0.0 110.427 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -144.38 137.99 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.92 150.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 95.8 -38.33 3.15 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 44.44 -162.41 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -124.88 140.73 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.762 0.315 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.6 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.421 ' N ' HD22 ' C' ' 23' ' ' ASN . 35.1 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.483 ' NZ ' ' CB ' ' D' ' 16' ' ' LYS . 8.2 mtpm? -117.31 128.97 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.42 HD11 HD11 ' C' ' 32' ' ' ILE . 4.9 tt -143.89 144.39 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.481 HG23 ' CD2' ' C' ' 20' ' ' PHE . 2.8 m -145.68 142.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.319 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 3.8 t80 -144.84 143.26 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.701 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 20.4 m-85 -144.56 143.43 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.251 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.85 151.35 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' C' ' 16' ' ' LYS . 36.8 mt-10 -145.68 127.05 14.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.54 145.73 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.97 61.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.48 -95.17 0.14 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -160.44 145.63 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' D' ' 28' ' ' LYS . 6.6 t-20 -123.28 -169.87 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' D' ' 27' ' ' ASN . 32.7 ttpt -163.52 -48.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -156.56 102.54 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.94 145.53 42.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 tt -145.65 145.1 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.6 mp -143.85 141.77 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.123 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.2 144.59 13.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.633 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -144.69 143.4 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptm -144.53 138.39 27.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 23.2 t -108.69 149.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.92 103.78 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . -138.73 -128.25 2.56 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -85.97 140.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.562 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.57 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.77 116.68 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.94 144.24 31.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.177 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.84 143.71 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' F' ' 19' ' ' PHE . 21.1 p90 -147.27 146.03 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.526 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -146.05 145.5 30.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.348 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.24 51.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -131.67 126.78 35.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -110.36 138.22 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -74.44 -63.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.48 -109.4 3.36 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -115.0 -168.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -168.13 170.7 10.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -81.64 -54.61 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.99 113.36 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.33 26.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.78 145.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.413 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.719 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.7 mp -143.6 141.46 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.062 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 145.13 13.59 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.02 144.73 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.671 0.272 . . . . 0.0 110.399 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 ptm -144.82 124.92 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.481 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.4 147.8 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.73 -151.64 10.22 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.61 -60.35 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.85 135.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.566 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -105.65 140.04 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.909 ' N ' HD23 ' F' ' 17' ' ' LEU . 0.8 OUTLIER -144.02 144.05 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.192 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -145.23 143.21 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.637 ' CE2' ' CD2' ' E' ' 19' ' ' PHE . 2.0 t80 -142.46 140.3 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.5 t80 -144.42 143.07 30.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.268 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.573 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -136.42 150.31 48.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -133.08 142.1 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . 0.688 ' ND2' HD22 ' F' ' 27' ' ' ASN . 28.5 m120 -123.01 139.81 53.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.447 HG23 ' N ' ' F' ' 25' ' ' GLY . 35.1 m -67.14 -39.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.447 ' N ' HG23 ' F' ' 24' ' ' VAL . . . -169.22 -97.1 0.11 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -79.27 151.81 30.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.688 HD22 ' ND2' ' F' ' 23' ' ' ASN . 64.5 t-20 -163.5 144.08 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.523 ' N ' ' OD1' ' F' ' 27' ' ' ASN . 12.6 ptpt -167.17 129.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.49 1.68 53.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.2 128.04 42.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 tt -146.39 145.84 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.461 HD12 ' CE1' ' F' ' 19' ' ' PHE . 9.2 pt -146.54 144.2 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.454 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 146.09 15.54 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.719 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -145.8 144.75 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.8 OUTLIER -140.97 137.12 32.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.523 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.416 HG12 ' O ' ' G' ' 30' ' ' ALA . 3.7 p -106.65 147.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.17 39.68 97.5 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.34 -132.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -137.37 145.06 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.602 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.58 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -109.58 132.32 54.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.592 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.4 HD11 HD13 ' G' ' 34' ' ' LEU . 2.2 pp -143.95 143.96 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.6 143.68 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' G' ' 32' ' ' ILE . 42.2 p90 -147.08 145.21 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.482 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.7 p90 -145.89 145.67 30.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.319 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.09 157.83 40.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -144.78 127.11 15.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -107.13 140.25 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.47 -19.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.32 -77.44 0.19 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.9 p -56.83 115.17 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.48 152.36 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -99.09 -61.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -174.43 114.29 0.5 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.416 ' O ' HG12 ' F' ' 36' ' ' VAL . . . -95.75 142.19 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.431 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.1 pt -145.24 145.07 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.345 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.751 HG21 ' CE2' ' G' ' 19' ' ' PHE . 4.6 mp -144.26 141.95 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.32 145.13 13.48 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.4 HD13 HD11 ' G' ' 17' ' ' LEU . 1.3 pp -147.51 146.82 29.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.72 137.13 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.551 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 m -109.94 147.72 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . 83.63 99.76 0.56 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . 161.05 -110.82 0.46 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 m -145.83 153.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.567 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -137.99 133.16 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.21 144.03 31.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.199 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t -147.73 144.98 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -144.84 144.0 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.238 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -145.79 144.31 30.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.295 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.41 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -144.92 130.52 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -121.2 132.1 54.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -160.73 -33.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.26 106.57 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m 53.03 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.594 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -47.88 153.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.93 173.52 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' G' ' 37' ' ' GLY . . . 149.49 43.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.67 145.28 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 18.1 tt -146.53 146.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.6 143.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.53 145.36 14.18 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.39 143.75 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.635 0.255 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 32.2 ttm -144.26 134.53 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.475 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.52 141.68 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.74 91.28 0.25 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -89.43 -102.85 1.07 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.48 143.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.51 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.545 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.54 126.51 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.65 143.63 31.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.132 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -146.86 143.73 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 0.0 110.418 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -145.72 144.65 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -145.27 144.35 30.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.27 153.22 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -139.4 145.36 38.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.8 OUTLIER -124.5 129.82 51.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.11 -166.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.88 101.04 0.89 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -168.43 -107.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.48 61.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 9.1 mtmp? 45.51 -111.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.72 -18.79 8.27 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 145.45 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -146.95 146.7 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.451 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -145.63 143.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.273 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.8 15.0 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.02 143.4 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 mtt -145.11 137.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.04 136.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 49.39 79.02 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -68.4 -142.67 0.1 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.81 157.65 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.578 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 128.16 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.649 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.14 144.26 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.223 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.84 143.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.739 0.304 . . . . 0.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 15.6 p90 -146.07 144.85 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.334 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -145.33 144.54 30.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.298 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.28 157.38 46.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.341 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -134.95 144.01 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -93.43 136.72 33.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 68.1 t -149.11 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.18 -105.0 0.85 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -170.33 82.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.702 HD22 ' N ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -76.3 -162.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.702 ' N ' HD22 ' B' ' 27' ' ' ASN . 13.7 ptmt -142.07 -8.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 159.68 104.67 0.2 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.66 144.0 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.544 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.9 tt -146.16 145.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.733 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.9 mp -144.3 142.18 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.251 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.37 144.88 13.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.632 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -147.85 147.5 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.595 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.19 139.14 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.495 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.37 138.28 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.59 56.26 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.6 164.92 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 86.3 t -85.47 127.32 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.547 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -119.41 141.74 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.75 144.0 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.216 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -145.0 142.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.604 ' CE1' HD12 ' C' ' 32' ' ' ILE . 1.2 t80 -142.19 140.07 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' C' ' 21' ' ' ALA . 6.2 t80 -144.8 143.44 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.264 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.563 ' N ' ' CD1' ' C' ' 20' ' ' PHE . . . -138.27 153.2 49.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -139.22 128.47 24.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -93.77 121.75 35.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.01 -30.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.93 78.79 1.32 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.9 m -161.08 -109.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -79.77 -162.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -155.79 137.77 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.95 60.77 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.11 140.81 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.404 HD13 HG21 ' C' ' 31' ' ' ILE . 6.9 pt -145.48 144.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.632 HD11 HD11 ' B' ' 34' ' ' LEU . 23.5 pt -146.0 143.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.432 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.66 14.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.764 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.45 145.54 30.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.36 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -145.37 151.22 37.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -90.89 117.33 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 135.71 108.68 0.96 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.412 ' H ' ' HA3' ' D' ' 29' ' ' GLY . . . -91.31 -95.88 1.28 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -150.56 133.99 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.596 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -107.72 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.25 144.41 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.64 144.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 4.7 p90 -145.81 144.35 30.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -145.92 145.19 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.401 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.88 146.64 46.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.547 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -135.01 127.19 29.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -105.87 140.19 39.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.53 -31.52 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.83 38.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 p -177.84 139.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -176.77 110.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -58.53 -23.95 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . 159.08 152.87 6.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' C' ' 37' ' ' GLY . . . -142.74 145.9 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tt -145.15 143.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.298 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.9 mp -143.14 141.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.586 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.15 145.17 13.61 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.693 HD12 HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.85 145.19 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 110.341 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -136.66 122.68 20.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.493 HG12 ' N ' ' D' ' 37' ' ' GLY . 99.4 t -100.38 158.21 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.493 ' N ' HG12 ' D' ' 36' ' ' VAL . . . -163.15 -158.75 9.98 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.425 ' H ' ' H ' ' D' ' 39' ' ' VAL . . . -167.27 -7.42 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.425 ' H ' ' H ' ' D' ' 38' ' ' GLY . 39.3 t -86.0 146.39 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.602 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -130.44 141.37 50.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.516 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -143.89 144.38 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.206 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -145.73 142.86 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 110.347 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -144.82 143.52 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.327 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' E' ' 21' ' ' ALA . 6.9 t80 -144.89 143.54 30.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.219 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.568 ' O ' ' CE1' ' E' ' 20' ' ' PHE . . . -130.65 146.63 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.57 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -142.46 131.84 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.71 136.94 55.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.2 m -77.81 -17.33 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.57 -173.61 25.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 128.08 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.44 HD22 ' N ' ' E' ' 29' ' ' GLY . 4.4 t30 -89.75 158.13 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -71.49 -58.19 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.44 ' N ' HD22 ' E' ' 27' ' ' ASN . . . -162.53 72.9 0.2 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 140.15 30.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 110.589 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -146.13 145.0 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.318 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.855 HD13 ' H ' ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.44 145.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.511 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.887 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.69 145.74 14.93 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.887 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.81 145.73 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 110.441 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -144.27 144.78 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.47 117.82 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.599 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 163.63 -61.96 0.26 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 45.39 -171.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 t -95.19 134.75 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.591 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -105.8 119.28 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.639 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.01 144.33 31.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.193 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.19 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.491 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.609 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 17.2 p90 -146.09 144.92 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' F' ' 20' ' ' PHE . 29.1 p90 -145.64 145.05 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.413 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.73 149.19 42.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -136.89 126.88 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -93.57 146.26 23.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -143.89 37.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.13 151.15 25.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 71.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -128.33 174.78 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -144.98 -147.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -79.36 149.86 32.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.22 37.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.601 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.99 144.96 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.678 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.4 mp -143.72 141.5 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 145.95 15.19 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.03 144.61 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.645 0.26 . . . . 0.0 110.321 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.477 ' CB ' HG22 ' G' ' 31' ' ' ILE . 7.5 ptp -144.75 128.47 17.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 93.7 t -98.51 148.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' E' ' 29' ' ' GLY . . . 73.81 -56.18 2.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.43 4.58 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 m -150.04 161.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.547 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' G' ' 15' ' ' GLN . 1.9 mp0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -105.98 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.92 144.15 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.213 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.66 143.99 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -144.83 143.59 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.299 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' G' ' 21' ' ' ALA . 10.0 t80 -145.09 143.56 30.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.213 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' G' ' 20' ' ' PHE . . . -125.38 142.66 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.566 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' H' ' 16' ' ' LYS . 25.2 tt0 -130.14 127.25 39.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . 0.466 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 6.1 m-80 -120.79 126.14 49.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.98 -54.1 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 66.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 t -161.16 167.52 26.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 56.01 171.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -152.54 154.06 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . 75.77 94.44 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.44 138.23 32.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' F' ' 35' ' ' MET . 5.9 pt -145.03 144.77 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.349 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.0 mp -143.55 141.13 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' H' ' 33' ' ' GLY . . . -146.59 144.75 13.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.681 ' H ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -145.88 144.9 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 0.0 110.427 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.5 tmt? -144.36 126.5 15.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.848 0.356 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -122.14 117.83 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.16 -108.2 0.19 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.71 -84.15 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.2 146.01 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.548 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.466 ' NE2' ' OD1' ' G' ' 23' ' ' ASN . 67.9 mt-30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' G' ' 22' ' ' GLU . 2.8 tptp -138.03 126.04 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.4 31.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.175 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -146.43 144.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.493 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 30.5 p90 -144.64 143.09 30.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.336 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -145.34 143.94 30.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.247 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.33 140.04 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.533 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -141.22 133.3 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' H' ' 24' ' ' VAL . 41.2 t-20 -106.75 145.62 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' H' ' 23' ' ' ASN . 11.6 t -47.96 -37.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.06 175.31 23.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.524 ' O ' ' ND2' ' H' ' 27' ' ' ASN . 22.9 p -81.45 121.74 26.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' H' ' 26' ' ' SER . 16.3 m-80 -157.17 110.69 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -62.19 102.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.16 -12.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.03 131.87 41.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 17.6 pt -146.29 145.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' G' ' 34' ' ' LEU . 9.9 pt -145.96 143.51 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.71 145.82 15.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.706 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.4 OUTLIER -145.23 143.72 30.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.347 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 12.4 tpt -144.77 124.77 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.558 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 m -113.33 152.4 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.37 33.53 68.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -64.29 161.07 38.67 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -86.03 123.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.609 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 3.5 mp0 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -120.54 115.46 23.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.16 144.25 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.262 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -146.81 143.83 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.397 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -145.11 144.27 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -145.14 143.68 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.255 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.19 158.21 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -129.87 130.77 45.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 58.0 m-80 -125.94 120.34 30.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -86.41 62.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.75 -116.92 0.81 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 28' ' ' LYS . 18.7 p -82.37 137.01 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.587 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -73.99 12.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 26' ' ' SER . 18.4 mtpp -97.64 -21.15 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 -69.6 1.23 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -95.83 145.56 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 110.553 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 tt -146.88 146.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.414 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.88 143.95 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.27 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.85 145.7 14.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.3 143.92 30.46 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 tpt -143.83 136.11 26.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.7 m -131.28 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.06 -9.66 70.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.4 129.37 10.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -85.97 141.07 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.588 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.467 ' OE1' ' ND2' ' C' ' 23' ' ' ASN . 81.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -138.43 122.48 17.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 144.38 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.216 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.22 144.4 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.6 OUTLIER -146.78 145.39 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.424 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.511 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 1.2 p90 -145.39 144.79 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.379 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 128.73 44.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -119.21 128.77 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' B' ' 23' ' ' ASN . 1.5 m-20 -95.92 138.15 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.47 -31.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.55 -91.62 2.04 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -152.84 175.77 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -152.06 176.2 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -153.16 -27.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.09 120.17 0.83 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.08 144.2 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.482 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.2 tt -146.2 145.5 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.8 mp -143.98 142.13 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.198 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.27 143.83 12.05 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' C' ' 19' ' ' PHE . 0.7 OUTLIER -147.69 146.84 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.504 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.66 144.82 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 30' ' ' ALA . 4.2 p -142.45 140.53 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.04 -79.29 0.87 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.14 -161.76 20.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.82 136.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.581 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 18.2 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -105.5 132.99 50.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.904 ' H ' HD23 ' C' ' 17' ' ' LEU . 1.5 pt? -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.226 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.7 t -146.08 143.49 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.392 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.11 143.52 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.293 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.6 p90 -145.85 144.96 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.405 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.24 141.49 52.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.05 134.18 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . 0.467 ' ND2' ' OE1' ' B' ' 15' ' ' GLN . 33.4 t30 -105.54 128.44 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.27 -77.21 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.661 ' H ' ' NE2' ' D' ' 15' ' ' GLN . . . -79.52 -87.83 0.52 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -169.48 122.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -80.94 -179.79 7.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -158.63 44.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 90.51 1.26 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.02 145.22 35.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -145.07 144.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.358 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.4 mp -143.63 141.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.31 144.55 12.93 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.41 145.19 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.423 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.0 ptp -144.94 140.3 28.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -102.87 143.6 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.18 32.57 82.99 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . -45.9 -65.2 2.1 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -95.03 147.06 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.59 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.573 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.661 ' NE2' ' H ' ' C' ' 25' ' ' GLY . 73.0 mt-30 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.473 ' HZ3' ' HB3' ' D' ' 16' ' ' LYS . 4.8 ttpm? -135.37 136.22 41.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.472 ' H ' HD12 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -143.86 143.45 31.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.12 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 76.8 t -147.72 144.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.55 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 25.0 p90 -145.97 145.04 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.2 p90 -145.5 144.8 30.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.279 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.56 158.53 31.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -141.11 126.92 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -104.63 141.35 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.411 HG22 ' O ' ' D' ' 24' ' ' VAL . 14.7 p -139.98 -13.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.88 -93.28 0.67 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.8 m -91.58 179.99 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' D' ' 29' ' ' GLY . 55.8 m-20 -136.25 -46.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttm 54.05 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' D' ' 27' ' ' ASN . . . 177.21 102.17 0.15 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.86 143.74 27.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.33 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.416 ' C ' HD12 ' D' ' 32' ' ' ILE . 8.2 tt -145.83 145.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.425 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.7 mp -143.58 141.25 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.2 145.61 14.53 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.934 ' O ' HD12 ' D' ' 34' ' ' LEU . 0.9 OUTLIER -146.23 145.19 30.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' D' ' 35' ' ' MET . 12.9 tmm? -144.2 132.78 22.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.42 156.5 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.19 62.91 4.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.61 -124.58 0.13 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.21 137.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.335 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.569 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' F' ' 22' ' ' GLU . 52.5 tttm -132.91 143.07 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' F' ' 21' ' ' ALA . 5.2 tt -143.74 144.14 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.188 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.63 143.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.365 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.36 144.62 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.316 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.52 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 2.4 p90 -145.53 144.22 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.342 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.56 142.23 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -129.37 126.7 39.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' D' ' 15' ' ' GLN . 1.7 m-20 -100.0 123.2 43.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.607 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.421 HG22 ' H ' ' E' ' 24' ' ' VAL . 6.2 m -95.99 137.22 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.76 -115.11 3.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -95.73 177.85 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.674 ' ND2' ' H ' ' E' ' 28' ' ' LYS . 2.9 t30 -163.41 174.22 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.674 ' H ' ' ND2' ' E' ' 27' ' ' ASN . 32.3 mttp -132.13 -132.81 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . -91.16 123.09 6.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.18 145.28 34.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.444 ' C ' HD12 ' E' ' 32' ' ' ILE . 8.4 tt -145.43 144.38 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' F' ' 34' ' ' LEU . 3.3 mp -144.38 142.16 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 144.73 13.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.759 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -145.17 144.03 30.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptp -144.49 136.87 26.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -111.0 123.25 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 106.13 20.28 9.38 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . -63.52 -173.06 2.41 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 87.8 t -86.4 140.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.542 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -106.14 130.22 54.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.96 143.82 31.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.164 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.12 144.42 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.549 ' CZ ' HD13 ' G' ' 34' ' ' LEU . 9.4 p90 -145.72 144.52 30.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.334 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.06 144.3 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' E' ' 17' ' ' LEU . . . -117.48 158.89 23.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' E' ' 16' ' ' LYS . 13.3 tt0 -135.5 144.75 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -125.91 145.88 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.8 2.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.14 -97.85 0.13 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -145.54 174.87 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.432 HD21 ' HA3' ' G' ' 37' ' ' GLY . 12.9 p-10 -166.86 158.83 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -75.85 -50.63 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 38' ' ' GLY . . . 176.31 133.72 1.83 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.0 141.92 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.441 ' C ' HD12 ' F' ' 32' ' ' ILE . 9.0 tt -145.87 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' E' ' 34' ' ' LEU . 4.5 mp -143.23 141.07 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.066 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.43 144.62 12.98 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -145.55 144.31 30.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.638 0.256 . . . . 0.0 110.346 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.6 ptm -145.26 134.6 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.843 0.354 . . . . 0.0 110.519 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.52 158.06 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . 91.65 121.0 2.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.44 -96.2 0.11 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.87 152.12 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.535 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -137.97 131.89 31.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.457 ' N ' HD23 ' G' ' 17' ' ' LEU . 0.3 OUTLIER -144.18 144.38 31.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.191 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 t -146.25 143.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.98 144.31 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.329 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 23.1 p90 -145.92 145.24 30.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.397 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.86 138.29 48.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.25 126.63 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.34 126.25 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -149.53 33.54 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.24 -88.86 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.7 p -172.64 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.577 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.52 -178.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -168.86 117.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 60.1 4.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 141.96 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -145.99 145.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.694 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.8 mp -143.3 141.08 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.705 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.05 145.16 13.61 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.731 ' N ' HD12 ' G' ' 34' ' ' LEU . 2.1 mp -145.32 144.46 30.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptm -143.67 125.14 14.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -144.26 139.82 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' F' ' 27' ' ' ASN . . . 159.65 103.43 0.19 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.14 141.7 3.22 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.462 HG22 ' O ' ' G' ' 40' ' ' VAL . 2.3 p -150.32 131.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.462 ' O ' HG22 ' G' ' 39' ' ' VAL . 25.6 m . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -138.05 120.8 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.2 144.34 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.207 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.82 144.22 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 28.4 p90 -144.66 143.28 30.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -145.29 144.03 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.81 146.5 50.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -116.8 128.78 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -108.41 122.4 46.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.79 -25.79 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.79 62.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -157.1 140.47 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.551 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -105.64 14.22 28.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -149.87 151.75 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 8.07 51.35 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 120.91 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.54 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' H' ' 31' ' ' ILE . 8.3 mt -146.15 145.33 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.383 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 pt -145.75 143.28 21.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.24 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.53 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.79 145.77 14.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.892 ' H ' HD23 ' H' ' 34' ' ' LEU . 1.5 pt? -146.15 144.75 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.261 . . . . 0.0 110.446 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 27.9 mtt -144.64 131.4 20.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.28 150.5 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.55 34.88 91.14 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.84 -156.85 0.09 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -85.91 139.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.588 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' B' ' 22' ' ' GLU . 85.5 mttt -133.95 126.93 31.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 144.61 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.258 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.21 143.99 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.724 0.297 . . . . 0.0 110.432 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -145.69 145.09 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -145.38 143.93 30.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.262 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.29 133.46 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -117.52 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 25' ' ' GLY . 3.4 m120 -119.68 125.58 49.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 m -48.31 -12.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 23' ' ' ASN . . . -156.84 -139.2 2.68 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -61.55 -141.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -157.77 98.56 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' NZ ' ' OG ' ' A' ' 26' ' ' SER . 6.5 ptpp? -157.6 66.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.97 -36.8 0.23 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.68 137.0 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -146.18 145.79 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.396 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.39 142.85 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.213 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.97 15.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.38 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -143.5 131.06 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.545 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.38 142.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.07 77.69 0.83 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -75.24 -153.37 3.81 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.97 151.77 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.574 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -138.21 123.46 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.12 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.192 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.8 m -147.39 144.27 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 24.8 p90 -147.93 146.5 29.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.3 p90 -145.75 145.68 30.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.76 154.72 35.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.504 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' LYS . 29.3 tt0 -145.51 144.36 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.528 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.545 HD22 ' N ' ' B' ' 23' ' ' ASN . 0.0 OUTLIER -124.88 133.44 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 24' ' ' VAL . 98.2 t -88.75 -15.82 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 26' ' ' SER . . . 166.79 44.21 0.02 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 25' ' ' GLY . 40.7 m -169.96 122.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -155.95 55.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -47.27 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -158.29 96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 142.14 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.454 ' C ' HD12 ' B' ' 32' ' ' ILE . 6.1 tt -146.12 145.61 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.578 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.26 141.23 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.198 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.6 144.5 12.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.75 148.02 30.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ptp -129.13 136.92 50.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.26 135.12 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.71 78.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.44 132.18 1.31 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 40' ' ' VAL . 7.4 p -153.52 153.65 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.561 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.424 ' N ' HG22 ' B' ' 39' ' ' VAL . 23.2 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.512 ' O ' ' ND2' ' B' ' 23' ' ' ASN . 25.8 mt-30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -109.16 143.14 38.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.99 144.41 31.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.22 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.91 143.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 5.6 t80 -144.66 142.51 30.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.174 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' C' ' 19' ' ' PHE . 3.5 p90 -146.65 145.93 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.97 158.27 20.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' D' ' 16' ' ' LYS . 13.4 mm-40 -139.68 127.45 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . 0.662 HD22 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -122.13 130.31 53.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 t -67.66 -15.76 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.19 1.38 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -162.94 90.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.523 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.78 -178.15 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -172.28 34.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . 84.47 95.37 0.68 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' D' ' 36' ' ' VAL . . . -142.58 145.32 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.476 ' C ' HD12 ' C' ' 32' ' ' ILE . 25.7 mt -145.27 144.57 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.343 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.617 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.7 mp -144.2 142.01 24.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.181 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 144.68 13.0 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.58 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -146.14 145.02 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.668 0.271 . . . . 0.0 110.422 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptp -145.37 136.54 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.492 HG12 ' N ' ' C' ' 37' ' ' GLY . 54.8 t -107.32 158.07 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.492 ' N ' HG12 ' C' ' 36' ' ' VAL . . . 50.64 51.65 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.74 154.25 0.66 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.42 137.49 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.443 HG22 ' H ' ' C' ' 40' ' ' VAL . 8.9 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.523 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' D' ' 15' ' ' GLN . 11.6 mp0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' C' ' 22' ' ' GLU . 74.7 mttt -136.55 123.57 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.652 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.58 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.228 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HD1' ' C' ' 19' ' ' PHE . 97.9 t -147.12 143.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.389 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 1.3 p90 -146.5 145.63 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.31 145.95 30.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.93 158.37 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.483 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -142.04 127.0 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -120.22 126.86 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.24 -30.01 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.54 -37.79 0.18 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 13.2 p -82.38 151.04 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.699 HD21 HD21 ' F' ' 27' ' ' ASN . 0.8 OUTLIER -173.28 102.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -77.88 -50.38 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 121.78 0.82 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.72 143.29 51.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' D' ' 32' ' ' ILE . 7.3 pt -145.72 145.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.421 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.5 mp -143.94 141.7 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.158 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.5 144.78 13.17 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.21 145.16 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 110.449 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.4 ptm -144.55 135.89 25.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' C' ' 30' ' ' ALA . 3.9 t -110.43 117.69 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . 144.63 121.08 1.45 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.54 -100.34 0.15 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.38 153.86 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 110.529 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.546 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.535 ' NE2' ' OD1' ' F' ' 27' ' ' ASN . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -137.92 142.91 40.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' F' ' 32' ' ' ILE . 5.6 tt -144.18 144.61 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -145.97 142.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.251 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 145.33 30.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.539 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 13.1 p90 -145.35 144.17 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.246 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 153.03 39.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.787 0.327 . . . . 0.0 110.54 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.42 132.46 31.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -126.15 121.9 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.23 -73.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.63 -98.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 23.0 m -161.36 148.31 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -140.86 159.61 41.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -165.9 135.47 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.87 61.91 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.72 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.78 145.14 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.371 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.591 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.6 OUTLIER -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.899 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.64 146.77 16.85 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.899 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.42 145.61 30.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.345 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 6.2 ptp -144.07 149.44 36.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.667 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.489 HG12 ' N ' ' E' ' 37' ' ' GLY . 61.5 t -114.55 158.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . -151.56 -134.69 2.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.46 ' HA3' ' H ' ' F' ' 28' ' ' LYS . . . 92.83 80.68 1.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -86.52 148.3 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -116.49 128.96 55.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.441 HD12 ' H ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -144.01 143.83 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.166 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.9 144.19 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 110.506 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 15.1 p90 -145.33 143.92 30.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.299 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 8.4 p90 -146.02 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.377 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 158.45 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.96 126.8 17.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.59 132.24 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -84.76 -36.56 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 58.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' F' ' 27' ' ' ASN . 2.6 t 174.68 173.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.699 HD21 HD21 ' D' ' 27' ' ' ASN . 22.9 m120 56.65 155.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.46 ' H ' ' HA3' ' E' ' 38' ' ' GLY . 13.5 pttm -165.75 84.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . 171.57 85.12 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.35 145.6 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.526 HG22 ' CB ' ' G' ' 35' ' ' MET . 12.7 pt -145.25 144.42 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.699 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.8 mp -143.96 141.78 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.204 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.936 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -146.98 144.81 13.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.936 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -145.86 145.27 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.374 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -136.02 123.14 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.463 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 26.6 t -80.56 153.82 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.79 -71.97 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.99 -155.58 26.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.92 134.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.58 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -106.71 142.52 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.86 143.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.141 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.77 144.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.63 144.91 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.429 179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 17.6 p90 -145.56 144.83 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.268 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.94 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.576 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -144.47 126.39 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -125.76 136.96 53.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.8 -11.52 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -179.68 -88.77 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . 0.433 ' O ' ' O ' ' G' ' 25' ' ' GLY . 10.3 t 48.92 100.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -67.25 -46.77 72.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -47.42 157.0 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' H' ' 38' ' ' GLY . . . -85.2 115.54 4.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.07 145.09 27.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -145.94 144.89 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.368 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.495 HD11 HD11 ' F' ' 34' ' ' LEU . 2.1 pp -146.33 144.03 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.417 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.42 146.54 16.42 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.759 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.4 mp -144.68 143.26 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.526 ' CB ' HG22 ' F' ' 31' ' ' ILE . 1.4 ptp -144.97 133.4 21.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 23.8 m -122.0 158.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.71 -89.43 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.46 -96.69 0.17 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -86.18 142.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.606 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -138.07 119.75 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.892 HD23 ' N ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -144.51 144.13 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.186 179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' G' ' 20' ' ' PHE . 11.5 t -147.66 145.59 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.614 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -143.95 142.68 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.199 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -145.16 143.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.283 . . . . 0.0 110.29 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.21 153.63 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.68 137.35 54.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.56 127.62 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.457 ' O ' HG13 ' H' ' 24' ' ' VAL . 10.9 p -72.5 130.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 165.56 35.77 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 88.6 p -79.6 -4.52 51.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.581 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -72.82 144.12 47.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -98.16 147.48 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.48 -21.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.54 144.53 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 110.525 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' G' ' 35' ' ' MET . 20.1 tt -146.74 145.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.879 HD13 ' H ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.74 144.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.78 145.51 14.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.38 145.11 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 28.7 mtt -144.27 125.44 14.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.507 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' H' ' 37' ' ' GLY . 12.2 t -93.64 139.28 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' H' ' 36' ' ' VAL . . . 59.33 125.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -90.42 -166.22 41.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -94.94 147.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.53 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 22' ' ' GLU . 77.4 tttt -117.21 116.81 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 144.54 31.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.194 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.74 144.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.747 0.308 . . . . 0.0 110.502 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 29.8 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.299 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -145.21 143.86 30.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.343 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 17' ' ' LEU . . . -131.12 158.18 41.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.601 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -124.71 129.51 50.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 10.8 p-10 -125.51 131.5 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 25' ' ' GLY . 34.9 t -144.47 -30.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' VAL . . . -58.19 -116.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 p -63.53 -175.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 27' ' ' ASN . 46.1 t-20 -68.33 -36.54 79.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -173.83 168.59 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.04 -6.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.97 140.56 30.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 35' ' ' MET . 12.5 tt -146.37 145.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.342 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 pt -146.01 143.86 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.318 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 33' ' ' GLY . . . -147.07 145.91 15.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HB2' HG22 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.96 144.51 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.651 0.262 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 34' ' ' LEU . 4.2 mpp? -144.05 121.96 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.69 134.53 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . 72.44 38.59 57.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -44.81 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.3 p -98.1 128.74 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.532 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' B' ' 15' ' ' GLN . 3.2 mp0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -117.49 122.08 42.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.785 HD23 ' C ' ' B' ' 17' ' ' LEU . 1.2 tt -143.79 143.87 31.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.209 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -146.32 143.51 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.727 0.299 . . . . 0.0 110.329 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' CE2' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -146.01 144.88 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.517 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -144.29 142.99 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.13 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.28 140.7 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' LYS . 54.5 mm-40 -133.28 131.01 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -125.57 133.62 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 t -82.17 -28.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.544 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.73 121.32 0.56 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -163.14 164.36 25.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.98 68.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -144.11 171.39 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -69.36 112.56 4.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 135.57 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -145.93 144.83 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.371 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -146.27 143.38 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.312 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.644 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -147.9 147.46 18.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.764 ' N ' HD12 ' B' ' 34' ' ' LEU . 1.1 mp -144.9 143.31 30.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 31' ' ' ILE . 14.5 ptm -146.24 132.18 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.452 HG13 HD13 ' B' ' 17' ' ' LEU . 2.4 m -112.66 158.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.49 -83.81 1.06 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 47.28 -171.82 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -143.17 147.38 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 22' ' ' GLU . 45.2 mttp -122.56 116.35 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.58 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -144.34 144.39 31.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 m -146.92 144.33 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.511 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.591 ' CE2' ' CD1' ' B' ' 19' ' ' PHE . 18.4 p90 -145.07 143.89 30.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.293 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 3.2 p90 -145.52 144.58 30.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.323 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.34 151.27 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -145.26 130.98 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' C' ' 23' ' ' ASN . 15.2 p-10 -123.62 123.27 40.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.48 -36.4 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.31 41.15 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 20.0 p -94.41 -94.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.557 ' C ' HD22 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -154.75 -172.65 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.75 -140.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' D' ' 38' ' ' GLY . . . 73.74 69.86 1.33 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 145.01 33.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.55 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -145.85 145.54 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.6 mp -143.7 141.45 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.12 144.41 12.81 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.529 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -145.76 144.58 30.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.629 0.252 . . . . 0.0 110.464 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.46 126.12 15.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.492 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.472 HG22 ' N ' ' C' ' 37' ' ' GLY . 14.6 p -106.82 157.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 52.78 51.19 46.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -93.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -148.91 154.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.561 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -131.47 139.9 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -143.92 144.4 31.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.205 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CZ ' ' D' ' 20' ' ' PHE . 77.2 t -146.02 143.01 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.707 0.289 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -145.89 144.72 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.429 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' D' ' 19' ' ' PHE . 31.4 m-85 -144.58 143.56 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.219 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.14 158.58 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.0 110.515 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 16' ' ' LYS . 26.6 mt-10 -141.79 129.69 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -123.88 129.17 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.426 HG13 ' N ' ' D' ' 25' ' ' GLY . 7.6 p -132.62 -38.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.426 ' N ' HG13 ' D' ' 24' ' ' VAL . . . -87.58 -106.03 0.9 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.4 m -130.55 -176.63 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.529 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' D' ' 29' ' ' GLY . 5.9 m120 -156.26 -64.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm 67.3 -35.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.64 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' D' ' 27' ' ' ASN . . . -162.78 101.71 0.19 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.69 132.84 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.599 ' C ' HD12 ' D' ' 32' ' ' ILE . 5.4 pt -145.39 144.92 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.599 HD12 ' C ' ' D' ' 31' ' ' ILE . 3.8 mp -144.02 141.7 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.909 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.28 144.58 12.7 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.909 HD23 ' C ' ' D' ' 33' ' ' GLY . 0.1 OUTLIER -146.54 146.44 30.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.686 0.279 . . . . 0.0 110.463 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -135.85 140.95 44.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.25 158.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' D' ' 38' ' ' GLY . . . 71.43 31.22 65.95 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . -58.4 -121.02 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 24.7 m -95.65 133.46 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.543 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.581 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -107.95 132.31 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.637 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -143.87 144.05 31.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.219 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.64 143.24 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.347 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' D' ' 19' ' ' PHE . 19.7 p90 -146.7 145.65 30.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -145.99 145.54 30.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.373 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.13 157.91 22.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -145.2 141.92 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . 0.679 HD22 ' N ' ' E' ' 23' ' ' ASN . 0.7 OUTLIER -96.23 124.66 40.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.487 HG12 ' O ' ' E' ' 24' ' ' VAL . 91.0 t -87.42 -10.54 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.31 -90.08 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -157.58 54.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 0.0 110.579 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -75.64 171.74 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -168.91 89.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' F' ' 37' ' ' GLY . . . 153.2 87.71 0.06 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 146.4 34.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 tt -145.38 144.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.2 mp -144.44 142.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.238 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.69 144.85 13.2 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 144.54 30.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.642 0.258 . . . . 0.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.2 OUTLIER -138.94 122.03 16.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -120.46 150.96 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' E' ' 39' ' ' VAL . . . -158.09 118.34 0.83 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.22 33.57 1.31 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' E' ' 37' ' ' GLY . 11.0 p -150.85 143.11 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.536 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -129.67 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.99 144.3 31.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 52.4 t -145.26 142.6 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.718 0.294 . . . . 0.0 110.289 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -145.06 143.78 30.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.286 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' F' ' 21' ' ' ALA . 5.2 t80 -145.03 143.76 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' F' ' 20' ' ' PHE . . . -131.11 140.17 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.545 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.0 129.74 51.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -125.51 144.6 50.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.79 -73.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.34 -92.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -153.82 139.08 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.73 149.42 26.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -173.48 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 27.16 68.22 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.36 140.76 36.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.613 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 tt -145.96 145.17 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.305 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' F' ' 19' ' ' PHE . 2.0 pp -146.13 143.85 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.408 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -146.33 145.36 14.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.644 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.44 144.96 30.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptp -145.53 148.07 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.474 ' O ' HG13 ' F' ' 36' ' ' VAL . 14.5 p -110.43 128.74 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . -82.36 -84.06 0.82 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . 56.76 63.09 5.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.12 141.02 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.532 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.571 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.482 ' H ' ' HB3' ' H' ' 22' ' ' GLU . 49.4 mttp -130.28 139.54 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.871 ' N ' HD12 ' G' ' 17' ' ' LEU . 0.0 OUTLIER -143.24 143.35 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.078 179.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.04 144.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' G' ' 32' ' ' ILE . 25.5 p90 -146.22 144.83 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.71 145.29 30.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.9 148.65 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -125.99 139.63 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -93.22 128.57 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -144.9 -30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.5 -85.77 0.92 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 14.8 t -168.67 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' NE2' ' H' ' 15' ' ' GLN . 5.3 m-20 48.05 -163.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -162.36 -26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -164.52 129.78 2.05 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.25 143.55 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' G' ' 32' ' ' ILE . 6.4 tt -146.45 146.1 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' G' ' 19' ' ' PHE . 4.3 mp -144.36 142.59 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.42 144.9 13.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.809 ' C ' HD23 ' G' ' 34' ' ' LEU . 0.7 OUTLIER -145.32 143.53 30.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.694 0.283 . . . . 0.0 110.242 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.9 ptp -146.04 136.49 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.405 ' H ' HG22 ' G' ' 36' ' ' VAL . 22.0 m -94.36 149.64 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.33 -36.12 9.06 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.8 26.02 69.63 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.416 HG22 ' N ' ' G' ' 40' ' ' VAL . 11.7 p -152.0 155.49 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.543 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.439 ' H ' HG23 ' G' ' 40' ' ' VAL . 4.6 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.509 ' NE2' ' OD1' ' G' ' 27' ' ' ASN . 7.7 tp-100 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -138.16 136.22 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.914 ' H ' HD23 ' H' ' 17' ' ' LEU . 1.4 pt? -144.02 143.95 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.201 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.51 143.61 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.32 . . . . 0.0 110.342 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -145.36 144.14 30.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.333 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -145.04 143.92 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.237 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.51 150.23 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.482 ' HB3' ' H ' ' G' ' 16' ' ' LYS . 28.5 tt0 -117.17 130.18 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.91 146.8 47.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.86 -54.05 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.8 106.86 3.08 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m 58.89 -142.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -160.23 54.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' G' ' 40' ' ' VAL . 47.0 pttt -169.78 130.69 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 144.05 -49.5 0.7 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.92 143.55 27.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.413 HG21 HD13 ' H' ' 31' ' ' ILE . 12.6 pt -146.33 145.74 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.59 143.29 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.52 145.18 13.81 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.605 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.2 OUTLIER -145.34 143.87 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -142.48 137.38 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.792 0.33 . . . . 0.0 110.521 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.6 t -110.54 140.38 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 77.21 26.01 62.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . -79.66 -129.34 0.71 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.99 145.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.58 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -137.66 120.3 16.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 143.7 31.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.134 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.53 143.65 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.28 144.19 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.314 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -145.52 144.44 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.342 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 147.34 33.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -145.24 150.84 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.786 ' H ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -116.87 141.43 48.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.622 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 ' H ' ' NE2' ' B' ' 15' ' ' GLN . 42.3 t -88.83 -47.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.12 -152.74 5.8 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 55.05 -154.38 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -90.69 -124.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -169.34 77.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.32 30.1 10.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 141.66 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.548 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' ILE . 16.6 tt -146.23 146.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HB3' ' B' ' 34' ' ' LEU . 4.4 mp -144.18 142.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.165 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.47 144.78 13.18 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -146.02 144.97 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.694 0.283 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -142.78 145.24 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.583 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.29 119.74 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.85 -67.2 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.22 -139.99 1.06 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.54 136.48 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.586 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.645 ' NE2' ' H ' ' A' ' 24' ' ' VAL . 17.8 mp0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -116.62 132.13 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.917 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.4 pt? -144.05 143.92 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.169 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.62 144.74 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -146.25 145.05 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.334 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 3.3 p90 -145.77 145.23 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.393 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.56 142.96 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.51 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -130.21 126.51 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 15' ' ' GLN . 17.0 m120 -95.51 126.73 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.31 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.06 -167.97 27.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.7 p -47.53 125.14 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -145.81 159.76 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -135.15 -168.66 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.19 118.92 5.64 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.27 144.96 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.588 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.407 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -145.86 144.87 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.37 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.2 mp -143.77 141.75 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.7 145.31 14.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -145.66 144.2 30.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.344 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.0 ptm -144.83 129.35 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 37' ' ' GLY . 12.6 p -90.96 157.9 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.484 ' N ' HG22 ' B' ' 36' ' ' VAL . . . 59.86 133.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.79 -117.71 0.54 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.4 160.0 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.59 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.555 HE22 ' N ' ' D' ' 25' ' ' GLY . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -105.93 117.97 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.91 ' H ' HD23 ' C' ' 17' ' ' LEU . 1.5 pt? -143.75 143.51 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.161 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -146.95 144.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -145.04 143.41 30.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.218 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -146.49 145.74 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.429 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.15 150.7 42.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -145.36 128.83 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . 0.613 HD22 ' N ' ' C' ' 23' ' ' ASN . 0.3 OUTLIER -125.85 129.61 49.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.435 ' H ' HG22 ' C' ' 24' ' ' VAL . 5.6 m -86.39 -33.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' C' ' 26' ' ' SER . . . 155.73 96.83 0.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 25' ' ' GLY . 6.4 m -166.97 -144.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.487 ' O ' ' NE2' ' D' ' 15' ' ' GLN . 22.4 m120 -57.87 154.97 11.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' C' ' 30' ' ' ALA . 53.5 mtpt -112.47 -40.44 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' D' ' 37' ' ' GLY . . . -53.24 85.38 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -142.27 145.34 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.44 ' C ' HD12 ' C' ' 32' ' ' ILE . 5.1 tt -145.82 145.61 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.5 mp -143.93 141.79 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.76 144.17 12.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.952 HD12 ' H ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -145.24 143.71 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.5 ptm -145.71 142.04 28.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -128.29 146.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.531 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.27 29.81 9.25 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.22 -121.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.01 135.41 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.599 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' C' ' 27' ' ' ASN . 81.9 mm-40 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -130.21 129.98 44.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.623 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.76 143.54 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -147.77 144.68 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.599 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 13.6 p90 -146.09 144.97 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 15.3 p90 -146.08 145.53 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.435 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.2 144.19 51.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.502 ' C ' HD22 ' D' ' 23' ' ' ASN . 59.4 tt0 -135.26 140.9 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . 0.527 HD22 ' N ' ' D' ' 23' ' ' ASN . 1.0 OUTLIER -112.89 146.97 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.35 -14.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.555 ' N ' HE22 ' C' ' 15' ' ' GLN . . . -105.61 -57.66 0.66 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -161.97 151.89 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.576 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -87.66 142.24 27.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -147.19 172.95 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.41 117.49 7.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.7 144.68 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.452 ' C ' HD12 ' D' ' 32' ' ' ILE . 2.5 tt -146.0 145.54 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.437 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.8 mp -143.01 140.79 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.98 145.17 13.65 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.1 OUTLIER -145.95 144.77 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 128.63 17.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.442 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.19 142.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' C' ' 29' ' ' GLY . . . 95.24 108.79 2.27 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.14 -130.93 1.16 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.05 141.04 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.519 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' F' ' 22' ' ' GLU . 2.9 pt20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' F' ' 22' ' ' GLU . 30.7 mttm -135.12 134.76 40.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.93 144.03 31.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.08 144.28 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.45 144.65 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 33.4 p90 -145.16 143.91 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.234 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.72 152.61 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -144.94 127.27 15.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.7 136.07 53.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.469 ' H ' ' NE2' ' F' ' 15' ' ' GLN . 60.5 t -85.19 -35.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.65 ' H ' ' NE2' ' F' ' 15' ' ' GLN . . . 172.55 -89.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 31.5 t 54.79 -118.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.623 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.435 ' N ' ' OG ' ' E' ' 26' ' ' SER . 72.8 m-80 -151.47 -165.85 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -81.98 -149.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.35 56.21 24.79 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.01 124.71 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -146.28 146.12 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.46 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.546 HG22 ' CB ' ' F' ' 34' ' ' LEU . 0.7 OUTLIER -145.92 143.39 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.4 145.32 14.14 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.885 ' N ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -144.64 143.13 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 13.0 ptm -145.73 127.68 15.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 12.7 p -100.33 145.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.74 160.08 25.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.5 -108.54 0.27 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -146.36 137.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.541 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.65 ' NE2' ' H ' ' E' ' 25' ' ' GLY . 58.6 mt-30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -124.54 117.11 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.537 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.99 143.82 31.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.156 179.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -147.49 144.64 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 6.9 p90 -145.45 144.67 30.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.381 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.1 t80 -144.48 143.35 30.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.205 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -121.38 158.77 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.548 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' E' ' 16' ' ' LYS . 27.5 tt0 -135.15 126.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.95 132.95 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -84.25 -13.13 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.53 -159.01 9.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -49.15 164.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.7 HD21 ' N ' ' G' ' 15' ' ' GLN . 0.8 OUTLIER -100.52 154.21 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -104.62 -9.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.19 67.45 0.13 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.9 135.76 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.555 ' C ' HD12 ' F' ' 32' ' ' ILE . 5.8 tt -145.52 145.31 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.314 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.555 HD12 ' C ' ' F' ' 31' ' ' ILE . 4.8 mp -143.31 140.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.77 145.55 14.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.546 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -146.82 146.04 30.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.682 0.277 . . . . 0.0 110.444 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptp -145.78 126.91 14.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.568 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.18 143.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' F' ' 38' ' ' GLY . . . 160.84 -84.13 0.12 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 55.03 163.42 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -151.62 134.43 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.558 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.7 ' N ' HD21 ' F' ' 27' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' CB ' ' G' ' 16' ' ' LYS . 9.1 mtmp? -136.66 127.17 26.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.886 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -143.97 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.7 142.87 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.305 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -146.12 144.38 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.396 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.97 145.28 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.371 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 158.15 38.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -140.93 127.96 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' G' ' 24' ' ' VAL . 60.0 t-20 -103.49 144.42 31.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.49 HG13 ' N ' ' G' ' 25' ' ' GLY . 14.6 p -159.04 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.49 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -81.9 -143.98 4.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -79.69 -178.41 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 64.7 t-20 -158.87 142.2 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' G' ' 27' ' ' ASN . 8.5 ptmm? -157.72 52.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.477 ' O ' ' CA ' ' H' ' 37' ' ' GLY . . . 92.78 110.09 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.77 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -145.97 145.38 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' H' ' 34' ' ' LEU . 4.6 mp -143.44 141.39 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.087 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.583 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.12 145.26 13.8 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.768 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.7 OUTLIER -144.61 143.38 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.436 ' O ' ' O ' ' H' ' 31' ' ' ILE . 12.4 ptm -146.21 135.3 22.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' G' ' 17' ' ' LEU . 2.7 m -118.8 129.69 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.539 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.52 178.64 21.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.64 -62.35 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.0 136.8 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.518 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -131.43 129.56 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.07 144.18 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.185 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -147.14 144.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 25.2 p90 -144.44 143.29 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.304 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -145.35 143.9 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.273 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.37 152.79 42.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 110.552 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.73 134.09 55.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -126.0 146.37 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.32 -32.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.85 -84.74 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.516 ' O ' ' N ' ' H' ' 28' ' ' LYS . 6.4 t -171.24 64.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 49.94 -87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' H' ' 26' ' ' SER . 47.8 tttm -45.51 110.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.33 -35.41 0.6 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.82 135.67 53.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' G' ' 35' ' ' MET . 14.3 mt -146.34 145.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.437 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.94 143.46 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.257 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -146.46 145.65 14.79 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.883 ' H ' HD23 ' H' ' 34' ' ' LEU . 1.4 pt? -146.34 144.87 30.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.619 0.247 . . . . 0.0 110.452 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtp -142.56 131.15 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.64 157.76 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' G' ' 29' ' ' GLY . . . 66.14 2.61 14.3 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 55.63 -130.76 48.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 p -151.87 136.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.562 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -138.09 126.2 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 143.92 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.172 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -146.85 143.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.381 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -145.61 144.55 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.315 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -145.54 144.5 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.7 156.17 46.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.1 134.51 26.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -99.45 135.15 41.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 24' ' ' VAL . 15.5 m -83.69 5.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.45 -145.57 4.21 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.1 t -58.86 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.552 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 28' ' ' LYS . 5.6 p-10 -161.23 -161.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 27' ' ' ASN . 13.3 ttpp 57.32 115.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.67 -50.82 0.82 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.76 132.87 42.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.47 146.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.416 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.49 142.99 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.157 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.75 145.87 15.18 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -145.08 143.4 30.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -143.34 130.31 20.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 0.0 110.537 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.59 ' N ' ' SD ' ' A' ' 35' ' ' MET . 74.4 t -105.19 144.72 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 60.1 49.39 79.05 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . -58.06 143.38 43.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -86.37 138.08 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.563 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.618 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' C' ' 22' ' ' GLU . 60.9 mttm -137.9 119.23 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.629 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.46 144.47 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.172 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.36 144.49 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.6 p90 -146.08 144.79 30.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.307 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.5 p90 -145.65 145.11 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.356 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.3 151.92 48.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -141.93 127.17 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 26' ' ' SER . 1.6 t-20 -125.68 120.58 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.09 62.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.18 -167.23 34.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.442 ' O ' ' OD1' ' B' ' 23' ' ' ASN . 60.6 p -54.74 168.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.349 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.67 126.7 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -74.33 -30.92 62.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 37' ' ' GLY . . . 153.45 129.53 1.38 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.89 139.9 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 tt -146.22 145.98 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.444 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.608 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.7 mp -143.12 140.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.12 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.17 145.26 13.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 148.23 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.579 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ptp -128.22 129.7 46.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.95 140.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.67 156.44 26.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.68 153.87 13.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG22 ' H ' ' B' ' 39' ' ' VAL . 19.0 m -85.51 160.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.554 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.532 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' D' ' 24' ' ' VAL . 19.1 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -138.09 116.24 11.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.89 144.41 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -145.71 143.01 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -144.82 142.87 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.258 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 1.6 p90 -146.25 145.3 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.335 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 139.64 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.502 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 16' ' ' LYS . 47.1 mt-10 -136.26 128.58 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -110.55 139.71 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.414 HG22 ' H ' ' C' ' 24' ' ' VAL . 5.9 m -79.17 9.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.02 -107.63 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 27' ' ' ASN . 49.3 m -140.87 -2.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' C' ' 26' ' ' SER . 2.6 m120 47.65 -177.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -172.93 97.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.62 59.95 1.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.07 134.84 38.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.463 ' C ' HD12 ' C' ' 32' ' ' ILE . 37.7 mt -145.31 144.9 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' D' ' 34' ' ' LEU . 4.1 mp -143.98 141.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.875 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.17 144.03 12.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.875 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.77 145.83 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.6 ptp -144.81 139.3 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.56 150.71 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 63.89 23.72 67.74 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.51 -93.92 1.64 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.506 HG12 ' N ' ' C' ' 40' ' ' VAL . 61.3 t -88.31 158.81 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.621 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.506 ' N ' HG12 ' C' ' 39' ' ' VAL . 15.8 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -108.51 125.52 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.618 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.9 143.49 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.14 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.449 ' HB ' ' CE2' ' C' ' 20' ' ' PHE . 89.4 t -149.44 145.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 27.7 p90 -148.26 148.13 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' D' ' 20' ' ' PHE . 20.9 p90 -145.41 144.95 30.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.293 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.61 155.75 33.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -145.22 133.8 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -100.56 127.67 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.552 ' H ' ' NE2' ' C' ' 15' ' ' GLN . 86.8 t -80.04 -31.79 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.485 ' H ' HE22 ' C' ' 15' ' ' GLN . . . 165.55 35.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.509 ' H ' HE22 ' C' ' 15' ' ' GLN . 10.4 t -158.88 -124.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.56 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.408 HD22 ' C ' ' D' ' 27' ' ' ASN . 0.2 OUTLIER 62.16 116.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -94.42 -46.92 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -152.69 143.67 10.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.62 145.67 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.422 ' C ' HD12 ' D' ' 32' ' ' ILE . 4.0 tt -146.14 145.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' C' ' 34' ' ' LEU . 3.9 mp -143.84 141.61 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.086 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.9 145.38 14.12 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.547 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -145.73 144.47 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 110.358 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.454 ' CB ' HG22 ' E' ' 31' ' ' ILE . 0.7 OUTLIER -142.31 131.55 23.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.561 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 158.14 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.94 78.94 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 150.85 14.85 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.57 146.2 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.574 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' F' ' 22' ' ' GLU . 91.5 mttt -108.69 143.81 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.8 144.28 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.211 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -146.54 143.78 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' CE2' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.47 144.27 30.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.287 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' E' ' 20' ' ' PHE . 6.6 p90 -145.79 144.86 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.317 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.43 139.98 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -122.35 138.4 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -103.47 129.07 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 t -137.9 -44.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.09 -97.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.7 p -175.71 -66.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.339 . . . . 0.0 110.589 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.31 177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -161.23 112.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 87.86 48.07 4.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.79 141.29 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.528 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.454 HG22 ' CB ' ' D' ' 35' ' ' MET . 8.6 pt -146.46 146.07 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.384 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.573 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.1 pt -146.89 144.36 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.387 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.609 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -147.71 146.59 16.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.875 HD23 ' N ' ' E' ' 34' ' ' LEU . 0.3 OUTLIER -146.72 145.57 30.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 110.516 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 14.8 ptm -145.42 126.33 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.412 HG12 ' N ' ' E' ' 37' ' ' GLY . 82.6 t -114.19 153.56 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' F' ' 28' ' ' LYS . . . -156.1 28.27 0.58 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.68 -162.55 37.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.48 HG11 ' ND2' ' F' ' 23' ' ' ASN . 27.0 m -140.52 139.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.555 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.596 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -105.97 127.3 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.633 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -144.03 143.98 31.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.135 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -146.96 144.15 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.555 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' G' ' 19' ' ' PHE . 12.4 p90 -145.52 144.33 30.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.93 144.06 30.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.265 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.5 158.79 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' E' ' 16' ' ' LYS . 1.1 tm-20 -128.32 126.58 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.514 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' G' ' 15' ' ' GLN . 88.2 m-20 -116.01 146.28 42.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.414 HG13 ' N ' ' F' ' 25' ' ' GLY . 11.8 p -157.01 -35.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.414 ' N ' HG13 ' F' ' 24' ' ' VAL . . . -107.09 -109.3 3.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t 171.6 145.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -159.72 -57.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' E' ' 37' ' ' GLY . 10.9 tptp -160.89 -139.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' F' ' 28' ' ' LYS . . . -107.13 173.03 18.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 136.15 29.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 tt -146.25 146.31 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.755 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.3 mp -143.06 140.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.013 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.848 ' C ' HD23 ' F' ' 34' ' ' LEU . . . -147.04 144.96 13.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.848 HD23 ' C ' ' F' ' 33' ' ' GLY . 0.1 OUTLIER -146.21 144.97 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.65 0.262 . . . . 0.0 110.413 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 17.0 ptm -146.19 125.86 13.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' F' ' 37' ' ' GLY . 16.7 m -98.6 156.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' F' ' 36' ' ' VAL . . . 56.12 111.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' E' ' 29' ' ' GLY . . . -159.27 -108.34 0.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.11 151.39 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.552 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' H' ' 22' ' ' GLU . 2.5 mm100 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -106.56 126.88 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.452 ' N ' HD23 ' G' ' 17' ' ' LEU . 0.4 OUTLIER -143.68 143.93 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.171 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -146.69 143.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' CE2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.14 144.49 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 1.1 p90 -145.89 145.21 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.327 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.42 158.25 34.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.74 128.06 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -125.28 130.35 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 17.9 m -141.28 -19.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.07 14.44 52.07 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m 60.53 -174.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -176.58 167.8 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -79.19 -65.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.4 93.18 0.13 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.42 145.16 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.334 . . . . 0.0 110.55 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -145.68 145.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.402 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.727 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.6 141.29 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.087 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.656 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.03 145.45 14.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.734 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.6 mp -144.78 143.41 30.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.496 ' O ' ' O ' ' H' ' 31' ' ' ILE . 11.3 ptm -145.85 131.12 18.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.83 153.32 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.16 36.6 89.34 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.41 176.1 42.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -106.67 148.51 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.576 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.429 ' O ' HG22 ' G' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -135.55 127.63 29.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.641 ' O ' HD12 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -144.53 144.42 31.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.98 144.82 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' H' ' 19' ' ' PHE . 29.1 p90 -143.95 142.67 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -145.12 143.29 30.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 110.258 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.47 146.0 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' G' ' 15' ' ' GLN . 5.0 pt-20 -143.2 129.54 19.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -125.66 142.41 51.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -85.06 43.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.24 149.9 21.63 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -86.75 -58.55 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.625 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.92 149.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -64.91 -177.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.4 -25.43 1.38 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.88 133.97 47.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' G' ' 35' ' ' MET . 12.7 tt -146.55 145.9 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 pt -145.95 143.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.523 ' O ' ' O ' ' G' ' 33' ' ' GLY . . . -147.23 146.16 15.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.727 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.11 145.0 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.5 mtp -140.56 131.2 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.495 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' H' ' 38' ' ' GLY . 16.6 t -97.93 141.83 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 -41.52 0.76 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . 77.82 -158.66 46.92 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.413 ' H ' HG22 ' H' ' 39' ' ' VAL . 3.6 m -91.07 129.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.559 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 6.3 mp0 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -131.08 141.32 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.84 143.78 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.38 143.57 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.419 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -145.65 144.6 30.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.416 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -145.47 144.34 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.76 127.8 20.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.99 151.43 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.562 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -109.44 134.32 52.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 t -134.26 68.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.0 170.85 38.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -69.2 -56.3 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -62.77 165.91 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -154.27 142.58 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . 163.61 77.49 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.39 146.61 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.9 tp -146.27 145.48 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.401 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.64 143.53 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.222 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.83 145.83 15.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.2 OUTLIER -145.12 143.64 30.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttm -140.89 134.3 29.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 110.588 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 37' ' ' GLY . 85.4 t -126.27 155.55 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.541 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 82.69 20.38 61.78 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -177.36 2.39 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 39' ' ' VAL . 29.6 m -86.95 145.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.574 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -105.72 118.65 37.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.643 ' O ' HD12 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -144.36 144.24 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.179 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -147.7 144.73 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 110.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 7.2 p90 -146.5 145.12 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.319 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -146.46 146.31 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.47 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.54 135.24 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -124.08 135.48 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -100.78 144.61 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 67.3 t -99.62 -30.33 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.94 -44.83 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 p -163.99 -159.63 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -159.14 -165.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -171.99 84.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.19 117.02 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.21 133.89 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.535 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.498 ' C ' HD12 ' B' ' 32' ' ' ILE . 3.5 pt -145.15 144.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 4.5 mp -143.96 141.81 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.229 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.56 144.32 12.57 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.402 HD13 HD13 ' B' ' 17' ' ' LEU . 0.9 OUTLIER -147.5 146.86 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.504 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 15.4 ptm -144.42 141.71 29.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.611 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.89 117.6 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 140.07 7.11 1.0 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.06 -132.39 2.61 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.6 t -142.66 152.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.583 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.424 ' N ' HG13 ' D' ' 24' ' ' VAL . 65.3 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' D' ' 22' ' ' GLU . 58.0 tttp -107.07 129.95 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.626 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.87 144.33 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.197 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -146.66 143.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.427 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' CE2' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -145.6 144.43 30.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 20' ' ' PHE . 2.2 p90 -145.87 144.89 30.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.345 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.1 127.94 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -120.82 142.88 49.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -122.27 141.49 51.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -145.82 56.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.88 -77.1 0.2 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 25.9 t -156.33 149.78 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.571 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -171.38 37.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -65.83 163.86 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.25 23.84 19.59 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.69 139.63 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.437 ' C ' HD12 ' C' ' 32' ' ' ILE . 7.3 tt -145.58 145.21 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.64 HG23 ' HB3' ' D' ' 34' ' ' LEU . 3.9 mp -143.49 141.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.091 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.844 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.66 144.8 13.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.844 HD23 ' C ' ' C' ' 33' ' ' GLY . 0.1 OUTLIER -146.06 145.01 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 110.402 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ptp -145.08 138.06 26.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 36' ' ' VAL . 29.2 m -117.27 124.55 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 143.09 -38.88 1.37 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 44.63 -163.4 0.06 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -107.87 140.09 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.553 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -128.67 131.02 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.609 ' O ' HD12 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -143.92 143.98 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.163 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 t -146.72 144.0 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.455 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.541 ' CE2' ' CD1' ' E' ' 19' ' ' PHE . 31.8 p90 -145.08 144.0 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.283 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 21' ' ' ALA . 15.0 t80 -144.87 143.5 30.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.237 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' D' ' 20' ' ' PHE . . . -125.35 150.45 47.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 16' ' ' LYS . 35.0 tt0 -144.46 129.49 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.527 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -93.77 143.5 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.424 HG13 ' N ' ' C' ' 15' ' ' GLN . 34.3 m -81.35 -31.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.77 -28.45 0.11 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -58.44 171.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' D' ' 27' ' ' ASN . 0.7 OUTLIER -127.97 104.25 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.424 ' HD3' HE22 ' C' ' 15' ' ' GLN . 14.4 mtpp -142.83 168.2 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -92.25 148.73 19.3 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.26 145.21 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.512 ' C ' HD12 ' D' ' 32' ' ' ILE . 10.1 tt -146.2 145.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.605 ' O ' HD12 ' E' ' 34' ' ' LEU . 3.9 mp -143.93 141.56 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.079 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.552 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -147.25 145.11 13.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.64 ' HB3' HG23 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -146.74 146.14 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.477 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ptp -144.78 134.54 23.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 t -103.17 118.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.64 -154.46 22.81 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.07 6.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.03 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.571 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.593 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.533 ' OE1' ' N ' ' E' ' 15' ' ' GLN . 2.3 pm0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -106.08 137.05 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.512 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.678 ' CD1' ' HB2' ' F' ' 21' ' ' ALA . 11.6 tp -142.98 142.83 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.156 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.405 ' N ' ' HG ' ' E' ' 17' ' ' LEU . 12.3 p -145.51 142.49 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.84 144.81 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 20.9 p90 -145.65 144.59 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.274 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.9 140.14 53.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.59 136.2 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' E' ' 23' ' ' ASN . 1.5 m120 -119.41 137.19 53.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -144.99 51.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.14 -109.64 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -164.83 142.39 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' E' ' 27' ' ' ASN . 6.8 p-10 -154.28 -51.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt 44.85 74.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' F' ' 37' ' ' GLY . . . 149.11 62.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.83 40.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.3 145.31 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.352 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.65 144.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.408 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -146.83 145.93 15.29 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.721 ' H ' HD12 ' E' ' 34' ' ' LEU . 0.1 OUTLIER -145.45 144.39 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' E' ' 35' ' ' MET . 11.5 tmm? -143.64 144.35 31.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -116.54 154.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' F' ' 29' ' ' GLY . . . 78.91 64.38 1.95 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.483 ' O ' ' NZ ' ' F' ' 28' ' ' LYS . . . -71.84 -165.24 7.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.98 143.22 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.562 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' G' ' 27' ' ' ASN . 38.1 tt0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -119.17 140.52 50.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.647 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.82 143.64 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.129 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.38 144.44 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 8.9 p90 -145.53 144.59 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.321 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 22.9 t80 -145.31 144.4 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.266 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.678 ' HB2' ' CD1' ' E' ' 17' ' ' LEU . . . -122.31 156.32 34.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -145.03 138.68 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -121.21 120.25 34.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -94.54 -29.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.38 -86.67 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -52.34 144.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -172.27 170.54 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' E' ' 38' ' ' GLY . 19.8 ttpp -172.15 -72.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' E' ' 37' ' ' GLY . . . -154.91 138.38 6.1 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.49 34.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.593 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.54 144.89 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.427 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.645 HG23 ' HB3' ' E' ' 34' ' ' LEU . 3.1 mp -143.62 141.44 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.442 ' C ' HD12 ' F' ' 34' ' ' LEU . . . -146.57 144.55 12.86 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.845 HD12 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -145.19 144.31 30.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' F' ' 35' ' ' MET . 0.0 OUTLIER -145.64 126.69 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.495 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.33 144.12 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' E' ' 29' ' ' GLY . . . -137.96 173.33 22.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' E' ' 27' ' ' ASN . . . -109.14 -51.5 0.67 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -86.07 142.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.559 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.507 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -138.16 130.35 28.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.36 144.67 31.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.284 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.78 143.19 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.297 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.75 144.06 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.338 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.4 p90 -145.85 145.16 30.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.335 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 157.99 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' G' ' 22' ' ' GLU . 9.0 mp0 -141.18 126.92 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -125.64 143.21 51.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.459 HG13 ' N ' ' G' ' 25' ' ' GLY . 7.3 p -125.94 -40.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.459 ' N ' HG13 ' G' ' 24' ' ' VAL . . . -67.11 -118.98 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -164.66 63.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.474 HD21 ' NE2' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -46.48 146.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' CB ' ' G' ' 28' ' ' LYS . 6.6 ttpm? -75.21 -39.92 59.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . -166.34 126.99 1.53 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.36 145.18 33.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 11.4 tt -145.45 144.56 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.326 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.7 mp -143.11 141.1 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.595 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -146.91 144.97 13.28 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.73 ' N ' HD12 ' G' ' 34' ' ' LEU . 1.2 mp -145.53 144.5 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 17.5 ptm -145.04 130.72 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.493 HG22 ' N ' ' G' ' 37' ' ' GLY . 4.0 p -94.85 158.4 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.493 ' N ' HG22 ' G' ' 36' ' ' VAL . . . -143.36 -85.48 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.04 -104.32 0.29 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 t -136.39 129.39 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.592 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -137.99 118.09 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.03 144.11 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.215 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -146.47 143.91 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -144.78 143.29 30.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -145.38 143.96 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.293 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.4 128.28 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -119.56 127.75 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -118.84 141.85 48.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 t -51.14 143.68 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 44.05 -133.87 6.31 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -52.81 166.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.48 108.69 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -161.16 -14.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.17 -22.67 60.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.31 141.38 28.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -146.96 146.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.874 HD13 ' H ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.08 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.438 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.6 145.12 13.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.76 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -146.86 145.94 30.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.675 0.274 . . . . 0.0 110.458 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 62.4 mtt -139.17 139.51 37.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -115.58 132.78 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.524 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 124.36 -54.38 0.73 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.14 -161.89 40.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -148.43 150.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.307 . . . . 0.0 110.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.567 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.39 129.58 27.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.98 144.06 31.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.217 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.94 143.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.452 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -145.39 144.33 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.54 152.87 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.06 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.481 HD22 ' CG ' ' B' ' 15' ' ' GLN . 10.1 t-20 -102.93 135.15 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 t -145.55 97.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.551 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.03 169.81 12.53 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 t -76.01 179.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 48.28 52.0 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -59.4 139.9 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 37' ' ' GLY . . . 178.85 85.99 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.92 145.7 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.556 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -145.81 145.09 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.89 143.63 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.259 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.79 146.05 15.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -144.94 143.25 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mtt -141.5 138.53 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 36' ' ' VAL . 35.4 m -114.88 124.05 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' GLY . . . 157.62 -77.61 0.19 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.92 -159.31 1.85 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.01 159.73 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.571 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.481 ' CG ' HD22 ' A' ' 23' ' ' ASN . 10.6 mp0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -138.13 126.44 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.885 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.47 144.61 31.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.66 144.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.53 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 2.9 p90 -146.05 145.03 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.529 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.9 p90 -145.31 144.48 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.6 135.01 46.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -118.55 128.96 55.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -124.92 126.23 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 25' ' ' GLY . 22.6 m -81.6 -38.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.454 ' N ' HG23 ' B' ' 24' ' ' VAL . . . -159.91 -43.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -64.07 76.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' GLY . 0.3 OUTLIER -100.03 -68.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm 61.41 -72.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 27' ' ' ASN . . . -166.97 132.68 2.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.2 145.92 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.491 ' C ' HD12 ' B' ' 32' ' ' ILE . 9.1 tt -145.69 145.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.373 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 34' ' ' LEU . 4.6 mp -144.36 142.32 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.284 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.18 144.55 12.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.592 HD11 HD11 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -148.17 148.33 30.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.605 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -140.66 139.06 34.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.13 133.61 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 104.95 69.34 0.76 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 -109.8 0.51 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -152.73 138.32 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.572 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -106.8 134.91 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' C' ' 34' ' ' LEU . 5.1 tt -143.87 144.04 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' B' ' 20' ' ' PHE . 78.0 t -144.84 142.73 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.364 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' D' ' 19' ' ' PHE . 1.9 t80 -142.52 140.43 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.932 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.51 143.01 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.228 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.85 158.05 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -142.8 129.32 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . 0.529 HD22 ' C ' ' C' ' 23' ' ' ASN . 0.2 OUTLIER -125.8 123.27 38.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.2 t -89.08 -49.52 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.12 172.4 0.31 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -98.99 -6.55 28.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -157.02 121.24 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -161.29 95.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.58 103.23 0.21 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.1 142.76 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.15 146.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.592 HD11 HD11 ' B' ' 34' ' ' LEU . 17.7 pt -146.07 144.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.394 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.668 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -146.56 145.01 13.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.69 ' HB3' HG23 ' D' ' 32' ' ' ILE . 0.0 OUTLIER -145.99 145.2 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.635 0.255 . . . . 0.0 110.471 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttp -136.96 144.4 43.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -118.78 117.7 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' D' ' 29' ' ' GLY . . . 124.5 45.68 0.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.28 149.43 43.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 t -86.22 142.91 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.613 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -105.76 121.96 45.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.507 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.34 144.5 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.25 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -146.98 144.33 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CB ' ' CD2' ' C' ' 19' ' ' PHE . 1.6 p90 -146.4 145.17 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.473 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -145.57 144.83 30.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.329 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.83 35.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -145.33 126.97 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . 0.607 HD22 ' N ' ' D' ' 23' ' ' ASN . 0.2 OUTLIER -125.37 142.12 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.41 -20.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.3 -68.49 1.42 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -170.11 133.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.757 HD21 HE22 ' E' ' 15' ' ' GLN . 2.3 p-10 -147.54 118.94 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' D' ' 28' ' ' LYS . 0.4 OUTLIER -80.49 -34.58 35.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' C' ' 37' ' ' GLY . . . -176.5 142.98 6.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.31 40.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -145.97 145.4 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.4 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.69 HG23 ' HB3' ' C' ' 34' ' ' LEU . 4.1 mp -143.41 141.4 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.056 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.8 145.03 13.42 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER -146.08 144.75 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.628 0.251 . . . . 0.0 110.401 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ptp -143.43 132.98 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.426 ' O ' HG23 ' D' ' 36' ' ' VAL . 6.2 m -133.16 133.01 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.78 113.41 0.57 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.25 146.36 7.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.18 160.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.574 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.757 HE22 HD21 ' D' ' 27' ' ' ASN . 7.9 mt-30 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -110.76 133.96 52.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.545 HD23 ' N ' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -143.89 144.29 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.212 179.671 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.9 143.89 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.735 0.302 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER -145.65 144.79 30.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.372 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' E' ' 20' ' ' PHE . 3.6 p90 -145.5 144.34 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.308 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.68 150.89 48.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.495 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.15 145.35 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . 0.727 HD22 ' H ' ' E' ' 24' ' ' VAL . 0.8 OUTLIER -99.05 141.29 31.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.727 ' H ' HD22 ' E' ' 23' ' ' ASN . 17.4 m -135.69 32.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.477 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . -178.93 -103.31 0.17 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -151.19 82.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 6.6 p-10 -66.65 156.62 34.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -172.76 139.17 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.37 27.62 53.69 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.85 141.04 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.534 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -145.3 144.8 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.344 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' F' ' 34' ' ' LEU . 1.7 pt -146.3 143.5 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.4 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' F' ' 33' ' ' GLY . . . -147.22 146.35 16.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.666 ' HB3' HG23 ' F' ' 32' ' ' ILE . 0.2 OUTLIER -146.89 145.79 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.408 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -144.38 145.1 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.84 153.73 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.23 -106.48 0.19 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.43 103.38 1.21 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.57 148.62 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.58 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.458 HE21 ' CG1' ' F' ' 36' ' ' VAL . 15.1 pt20 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -105.9 125.88 51.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' HD12 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -143.95 143.77 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.205 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -146.74 144.1 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 10.9 p90 -145.18 144.07 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.316 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' F' ' 21' ' ' ALA . 20.9 t80 -144.78 143.57 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.536 ' O ' ' CE1' ' F' ' 20' ' ' PHE . . . -125.41 155.65 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -142.86 132.06 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.69 129.23 49.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.576 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -52.67 -54.51 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 53.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 84.2 p -147.19 -75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.595 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.517 ' N ' ' OG ' ' F' ' 26' ' ' SER . 19.3 p-10 -67.03 138.7 57.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.431 ' HB3' HE22 ' G' ' 15' ' ' GLN . 16.0 pttp -137.91 121.43 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.548 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.96 91.02 0.14 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.96 145.85 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -146.02 145.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' E' ' 34' ' ' LEU . 2.5 mp -143.74 141.52 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' E' ' 33' ' ' GLY . . . -147.04 144.97 13.24 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.561 ' CB ' HG22 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -147.04 146.17 29.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.704 0.287 . . . . 0.0 110.446 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.05 127.84 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.504 ' O ' HG23 ' F' ' 36' ' ' VAL . 5.2 m -130.84 127.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.523 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.3 109.26 0.53 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.45 29.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 29.8 m -113.87 156.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.577 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' H' ' 26' ' ' SER . 9.8 mt-30 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -105.92 134.48 48.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.897 ' H ' HD23 ' G' ' 17' ' ' LEU . 1.6 pt? -144.15 144.29 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.249 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.12 143.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.373 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -145.61 143.92 30.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.302 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' G' ' 20' ' ' PHE . 4.8 p90 -145.73 144.89 30.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.98 149.2 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -143.41 131.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -103.83 140.58 37.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.18 28.78 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.46 -98.69 0.11 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 55.0 p -161.42 -176.74 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.627 HD22 ' N ' ' G' ' 28' ' ' LYS . 2.3 p-10 -165.87 -155.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.627 ' N ' HD22 ' G' ' 27' ' ' ASN . 47.5 tttp -154.62 75.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 116.33 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.54 145.13 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.622 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.49 144.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' H' ' 34' ' ' LEU . 4.9 mp -143.59 141.57 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.477 ' C ' HD12 ' G' ' 34' ' ' LEU . . . -147.02 145.19 13.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.808 ' N ' HD12 ' G' ' 34' ' ' LEU . 0.1 OUTLIER -144.86 143.55 30.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -146.15 138.34 25.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.619 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.44 144.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' H' ' 29' ' ' GLY . . . 76.64 89.16 0.28 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' H' ' 29' ' ' GLY . . . -106.73 -141.75 10.37 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.65 136.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.575 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.456 ' NZ ' ' CB ' ' H' ' 16' ' ' LYS . 9.2 mtmp? -130.54 118.56 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.41 144.4 31.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.195 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.54 144.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 0.0 110.424 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' H' ' 19' ' ' PHE . 25.6 p90 -144.55 143.17 30.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.275 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.21 143.81 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.282 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.93 158.16 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.548 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -143.53 137.87 28.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -119.82 135.92 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -168.22 145.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.26 -57.18 4.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.496 ' O ' ' NE2' ' G' ' 15' ' ' GLN . 20.6 p -175.32 113.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.514 ' ND2' ' N ' ' H' ' 29' ' ' GLY . 1.3 t30 -139.72 112.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -67.57 -26.94 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' G' ' 38' ' ' GLY . . . 162.01 148.63 5.39 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.05 139.54 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 tt -146.87 146.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.442 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.888 HD13 ' H ' ' H' ' 32' ' ' ILE . 0.1 OUTLIER -146.53 144.39 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.44 145.35 14.18 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.726 ' HB3' HG23 ' G' ' 32' ' ' ILE . 2.2 pp -145.97 144.61 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.655 0.264 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 47.4 mtm -144.53 127.78 16.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' H' ' 38' ' ' GLY . 31.0 m -111.32 150.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.68 1.22 3.35 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' H' ' 36' ' ' VAL . . . -51.11 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.06 130.74 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.575 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -134.79 139.78 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.9 143.83 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.161 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -146.73 144.08 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 34' ' ' LEU . 42.9 p90 -144.59 143.41 30.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -145.05 143.54 30.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.231 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 157.33 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.504 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -120.72 134.78 55.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -107.41 140.19 40.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG13 ' N ' ' A' ' 25' ' ' GLY . 9.1 p -84.54 -46.15 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.579 ' N ' HG13 ' A' ' 24' ' ' VAL . . . -112.18 -18.8 7.5 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.8 p 50.92 79.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -154.75 70.32 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt 48.91 43.39 21.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.598 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.71 -48.5 0.96 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.6 136.35 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mt -146.44 145.68 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.875 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -146.48 144.1 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.429 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.62 145.73 14.92 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.682 ' HB3' HG23 ' B' ' 32' ' ' ILE . 0.3 OUTLIER -146.39 145.01 30.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ttt -139.1 131.32 28.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -112.98 141.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.21 47.47 17.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.86 -152.4 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.7 151.77 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.536 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -105.83 131.03 53.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.887 ' H ' HD23 ' B' ' 17' ' ' LEU . 1.6 pt? -144.15 144.33 31.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.265 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -146.33 143.74 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.392 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -145.6 143.86 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.277 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 2.4 p90 -145.83 145.12 30.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.329 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.06 147.62 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.13 128.57 40.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.28 143.02 50.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.42 23.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 26' ' ' SER . . . 164.48 174.24 34.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 25' ' ' GLY . 7.3 m 59.87 147.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -153.28 28.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -53.33 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.4 124.81 0.97 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.8 142.59 33.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 tt -145.86 145.56 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 34' ' ' LEU . 2.1 mp -143.87 141.61 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.089 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.574 ' C ' HD12 ' B' ' 34' ' ' LEU . . . -146.81 145.04 13.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.757 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.7 OUTLIER -144.77 143.6 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 18.9 ptm -145.27 134.83 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 17' ' ' LEU . 2.7 p -125.35 131.55 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . 149.73 -99.63 0.2 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' B' ' 37' ' ' GLY . . . 60.4 135.18 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.548 HG22 ' N ' ' B' ' 40' ' ' VAL . 7.3 p -144.61 160.16 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.346 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.548 ' N ' HG22 ' B' ' 39' ' ' VAL . 17.3 m . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.654 ' NE2' HD22 ' D' ' 23' ' ' ASN . 24.8 mm-40 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -112.41 123.68 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.545 ' O ' HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -143.71 143.55 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.09 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -147.18 144.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' C' ' 19' ' ' PHE . 9.9 p90 -145.52 144.45 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 21' ' ' ALA . 9.9 t80 -144.88 143.86 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.234 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.529 ' O ' ' CE1' ' C' ' 20' ' ' PHE . . . -123.17 158.2 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.547 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' D' ' 15' ' ' GLN . 41.6 tt0 -135.23 142.42 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -125.63 120.15 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -117.44 16.61 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.14 -131.91 2.04 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -99.66 127.86 45.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.593 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.514 ' C ' HD22 ' C' ' 27' ' ' ASN . 0.2 OUTLIER -58.22 -179.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -157.42 -56.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 162.74 78.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.72 137.01 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.522 ' C ' HD12 ' C' ' 32' ' ' ILE . 8.2 tt -146.1 145.82 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.522 HD12 ' C ' ' C' ' 31' ' ' ILE . 4.9 mp -143.23 140.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' D' ' 33' ' ' GLY . . . -147.69 145.41 14.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.543 ' CB ' HG22 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -146.93 146.22 30.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.461 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 17.3 ptm -145.73 129.98 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -125.1 158.68 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.29 120.28 1.18 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.82 -113.34 0.45 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -153.44 146.03 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.533 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' C' ' 22' ' ' GLU . 74.1 mt-30 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' C' ' 22' ' ' GLU . 39.9 tttp -110.51 135.95 50.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.98 144.27 31.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.78 144.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -145.25 143.97 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -145.67 144.79 30.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.322 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.47 144.43 51.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -139.43 128.31 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.613 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASN . . . . . 0.654 HD22 ' NE2' ' C' ' 15' ' ' GLN . 3.5 m120 -115.58 144.51 43.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.11 -66.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.75 69.33 0.05 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -177.09 57.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.426 HD21 ' HB3' ' D' ' 23' ' ' ASN . 3.0 m120 -85.51 140.02 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -159.48 103.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.93 85.18 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.39 139.67 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -146.67 146.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.543 HG22 ' CB ' ' C' ' 34' ' ' LEU . 0.9 OUTLIER -145.85 143.52 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.292 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' C' ' 33' ' ' GLY . . . -146.32 145.36 14.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.864 HD12 ' N ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -144.3 142.85 30.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 19.8 ptm -145.69 135.61 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.72 153.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 29' ' ' GLY . . . 83.53 -61.92 4.69 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.18 -158.22 26.43 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.89 154.38 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.456 ' H ' HG22 ' D' ' 40' ' ' VAL . 1.1 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -132.39 134.82 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.518 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.621 ' O ' HD12 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -144.05 143.97 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.189 179.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -146.7 143.94 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.444 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.549 ' HZ ' HD13 ' D' ' 34' ' ' LEU . 14.4 p90 -145.26 143.92 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' E' ' 20' ' ' PHE . 11.2 p90 -145.51 144.69 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.349 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.84 152.62 29.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -145.16 132.89 21.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASN . . . . . 0.672 HD21 ' H ' ' E' ' 26' ' ' SER . 2.0 t-20 -98.67 146.06 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.548 ' H ' HD22 ' E' ' 23' ' ' ASN . 6.7 m -123.38 18.7 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.555 ' H ' ' ND2' ' E' ' 23' ' ' ASN . . . 175.19 -57.79 0.12 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.672 ' H ' HD21 ' E' ' 23' ' ' ASN . 6.3 t -167.44 122.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' E' ' 27' ' ' ASN . 13.7 p-10 -86.53 172.52 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' F' ' 38' ' ' GLY . 63.4 mttm -143.24 68.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.53 130.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.402 ' HB2' HG23 ' F' ' 36' ' ' VAL . . . -142.37 145.38 33.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.347 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 tt -145.99 145.53 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' F' ' 34' ' ' LEU . 2.4 mp -144.12 141.93 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.135 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.854 ' C ' HD23 ' E' ' 34' ' ' LEU . . . -146.53 144.68 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.854 HD23 ' C ' ' E' ' 33' ' ' GLY . 0.1 OUTLIER -146.59 145.63 30.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.9 ptp -144.88 123.92 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.548 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -110.8 130.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' F' ' 29' ' ' GLY . . . -132.27 158.07 22.79 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.08 151.07 5.34 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.473 ' O ' HG13 ' E' ' 39' ' ' VAL . 8.3 p -145.61 129.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.582 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.538 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -135.01 144.26 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 tp -143.24 143.07 31.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.128 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.75 142.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 110.307 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -146.16 144.94 30.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' F' ' 20' ' ' PHE . 1.1 p90 -145.6 144.69 30.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 156.53 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.516 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -140.53 149.01 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -98.58 146.58 25.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.451 HG22 ' O ' ' F' ' 24' ' ' VAL . 13.9 p -133.71 -9.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.614 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.9 -111.7 0.61 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t 174.94 77.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -92.01 -152.5 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -168.99 135.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' E' ' 37' ' ' GLY . . . 89.97 68.46 1.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 140.33 34.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 tt -146.46 146.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.406 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.582 HG22 ' CB ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -146.28 143.53 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.96 146.27 15.96 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' E' ' 32' ' ' ILE . 0.0 OUTLIER -146.09 144.7 30.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.707 0.289 . . . . 0.0 110.327 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptm -144.69 139.5 28.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.462 HG22 ' N ' ' F' ' 37' ' ' GLY . 5.3 p -123.65 155.79 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.563 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.462 ' N ' HG22 ' F' ' 36' ' ' VAL . . . 80.41 62.76 2.02 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' E' ' 28' ' ' LYS . . . -83.93 -122.98 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 t -112.26 147.13 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.557 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -105.77 135.08 47.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.879 ' N ' HD23 ' G' ' 17' ' ' LEU . 1.3 pt? -144.21 144.29 31.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.17 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.18 144.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.46 144.76 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.326 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 2.3 p90 -145.79 145.45 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.338 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.53 158.4 29.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' H' ' 16' ' ' LYS . 51.1 mt-10 -139.19 142.12 37.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -125.12 140.39 52.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.406 ' O ' HG22 ' G' ' 24' ' ' VAL . 7.6 p -155.68 -16.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.551 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.88 -112.36 0.79 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -161.23 97.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.85 -178.04 5.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -164.06 93.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' H' ' 37' ' ' GLY . . . 135.79 98.1 0.54 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.05 131.15 28.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.526 ' C ' HD12 ' G' ' 32' ' ' ILE . 3.5 tt -146.39 145.87 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.694 HG21 ' CZ ' ' G' ' 19' ' ' PHE . 4.9 mp -144.05 142.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.291 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.33 143.9 12.12 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.09 146.64 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.7 ptp -142.36 145.53 34.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.409 ' O ' HG23 ' G' ' 36' ' ' VAL . 16.0 m -123.16 133.46 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.09 -15.37 54.17 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -132.63 11.0 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -106.97 142.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.526 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.419 ' H ' HG22 ' G' ' 40' ' ' VAL . 10.5 m . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' G' ' 22' ' ' GLU . 16.2 mtmm -129.45 133.55 47.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 144.67 31.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -147.4 144.44 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.487 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -145.31 144.57 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.343 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -145.54 144.07 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.231 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.18 148.46 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.585 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -137.05 130.71 31.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -121.97 136.64 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -96.01 -16.85 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.554 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.54 -110.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -153.42 -106.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -72.94 -119.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -59.86 169.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.76 -61.5 0.38 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.32 145.64 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 mt -146.1 145.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -145.42 143.25 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.227 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.86 145.75 14.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' G' ' 32' ' ' ILE . 0.3 OUTLIER -145.13 143.63 30.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mmt -142.81 130.06 20.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.511 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.467 HG12 ' N ' ' H' ' 37' ' ' GLY . 32.7 t -106.77 158.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' G' ' 29' ' ' GLY . . . 49.88 24.04 5.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.81 -104.11 0.55 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 t -85.93 137.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.565 -179.987 . . . . . . . . 0 0 . 1 stop_ save_